CID 138394610

1,8-bis(perfluorododecyl)-2,7-diiodooctane

Structural Information

Molecular Formula
C32H14F50I2
SMILES
C(CCC(CC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I)CC(CC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C32H14F50I2/c33-9(34,11(37,38)13(41,42)15(45,46)17(49,50)19(53,54)21(57,58)23(61,62)25(65,66)27(69,70)29(73,74)31(77,78)79)5-7(83)3-1-2-4-8(84)6-10(35,36)12(39,40)14(43,44)16(47,48)18(51,52)20(55,56)22(59,60)24(63,64)26(67,68)28(71,72)30(75,76)32(80,81)82/h7-8H,1-6H2
InChIKey
QGKNMQUBVNOYTQ-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31,32,32,32-pentacontafluoro-14,19-diiododotriacontane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1601.8386 Da
Monoisotopic Mass

22.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1602.845876 336.7
[M+Na]+ 1624.827818 337.1
[M-H]- 1600.831324 345.5
[M+NH4]+ 1619.872423 343.0
[M+K]+ 1640.801758 345.9
[M+H-H2O]+ 1584.835860 330.2
[M+HCOO]- 1646.836801 340.8
[M+CH3COO]- 1660.852451 271.9
[M+Na-2H]- 1622.813266 336.7
[M]+ 1601.83805142 326.7
[M]- 1601.83914858 326.7
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

No patent data available for this compound.