PubChemLite - Naphthalene, (difluoro(undecafluorocyclohexyl)methyl)heptadecafluorodecahydro- (C17F30)

Structural Information

Molecular Formula

SMILES

C12(C(C(C(C(C1(C(C3(C(C(C(C(C3(F)F)(F)F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)(F)F)(F)F)(C(C(C(C2(F)F)(F)F)(F)F)(F)F)F)F

InChI

InChI=1S/C17F30/c18-1-2(19,5(22,23)4(21)10(32,33)15(42,43)17(46,47)16(44,45)11(4,34)35)7(26,27)12(36,37)8(28,29)3(1,20)9(30,31)14(40,41)13(38,39)6(1,24)25

InChIKey

AKBMBNDRIIVPGZ-UHFFFAOYSA-N

Compound name

1-[difluoro-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl]-1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-heptadecafluoronaphthalene

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	774.95938	183.9
[M+Na]+	796.94132	204.8
[M-H]-	772.94482	176.3
[M+NH4]+	791.98592	201.5
[M+K]+	812.91526	201.3
[M+H-H2O]+	756.94936	173.6
[M+HCOO]-	818.95030	176.7
[M+CH3COO]-	832.96595	264.5
[M+Na-2H]-	794.92677	185.6
[M]+	773.95155	165.0
[M]-	773.95265	165.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

774.95938

183.9

[M+Na]+

796.94132

204.8

[M-H]-

772.94482

176.3

[M+NH4]+

791.98592

201.5

[M+K]+

812.91526

201.3

[M+H-H2O]+

756.94936

173.6

[M+HCOO]-

818.95030

176.7

[M+CH3COO]-

832.96595

264.5

[M+Na-2H]-

794.92677

185.6

[M]+

773.95155

165.0

[M]-

773.95265

165.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Naphthalene, (difluoro(undecafluorocyclohexyl)methyl)heptadecafluorodecahydro-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe