Dtxsid10895545 (C22H10F34I2)

Structural Information

Molecular Formula

SMILES

C(CC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I)C(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I

InChI

InChI=1S/C22H10F34I2/c23-7(24,9(27,28)11(31,32)13(35,36)15(39,40)17(43,44)19(47,48)21(51,52)53)3-5(57)1-2-6(58)4-8(25,26)10(29,30)12(33,34)14(37,38)16(41,42)18(45,46)20(49,50)22(54,55)56/h5-6H,1-4H2

InChIKey

SELAZSIAMBJAMF-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,22-tetratriacontafluoro-10,13-diiododocosane

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]+	1174.840176	295.4
[M+Na]+	1196.822118	297.1
[M-H]-	1172.825624	304.9
[M+NH4]+	1191.866723	305.6
[M+K]+	1212.796058	310.4
[M+H-H2O]+	1156.830160	284.9
[M+HCOO]-	1218.831101	303.3
[M+CH3COO]-	1232.846751	277.7
[M+Na-2H]-	1194.807566	294.1
[M]+	1173.83235142	290.1
[M]-	1173.83344858	290.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1174.840176

295.4

[M+Na]+

1196.822118

297.1

[M-H]-

1172.825624

304.9

[M+NH4]+

1191.866723

305.6

[M+K]+

1212.796058

310.4

[M+H-H2O]+

1156.830160

284.9

[M+HCOO]-

1218.831101

303.3

[M+CH3COO]-

1232.846751

277.7

[M+Na-2H]-

1194.807566

294.1

[M]+

1173.83235142

290.1

[M]-

1173.83344858

290.1

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

Dtxsid10895545

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe