CID 138394609

1,12-bis(perfluorodecyl)-2,11-diiodododecane

Structural Information

Molecular Formula
C32H22F42I2
SMILES
C(CCCCC(CC(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)I)CCCC(CC(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)I
InChI
InChI=1S/C32H22F42I2/c33-13(34,15(37,38)17(41,42)19(45,46)21(49,50)23(53,54)25(57,58)27(61,62)29(65,66)31(69,70)71)9-11(75)7-5-3-1-2-4-6-8-12(76)10-14(35,36)16(39,40)18(43,44)20(47,48)22(51,52)24(55,56)26(59,60)28(63,64)30(67,68)32(72,73)74/h11-12H,1-10H2
InChIKey
DQXIYVFFIHADCW-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31,32,32,32-dotetracontafluoro-12,21-diiododotriacontane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1457.9141 Da
Monoisotopic Mass

21.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1458.921376 323.1
[M+Na]+ 1480.903318 323.6
[M-H]- 1456.906824 332.2
[M+NH4]+ 1475.947923 331.6
[M+K]+ 1496.877258 335.8
[M+H-H2O]+ 1440.911360 314.1
[M+HCOO]- 1502.912301 328.5
[M+CH3COO]- 1516.927951 279.9
[M+Na-2H]- 1478.888766 322.1
[M]+ 1457.91355142 316.0
[M]- 1457.91464858 316.0
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.