CID 86373

125061-94-1

Structural Information

Molecular Formula
C17F30
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

compound 2d structure
1
Annotation Hits

0
References

79
Patents

773.9521 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 774.95938 169.4
[M+Na]+ 796.94132 169.4
[M+NH4]+ 791.98592 169.4
[M+K]+ 812.91526 169.5
[M-H]- 772.94482 169.4
[M+Na-2H]- 794.92677 169.5
[M]+ 773.95155 169.4
[M]- 773.95265 169.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe