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]+ 1602.8459 336.7
[M+Na]+ 1624.8278 337.1
[M-H]- 1600.8313 345.5
[M+NH4]+ 1619.8724 343.0
[M+K]+ 1640.8018 345.9
[M+H-H2O]+ 1584.8359 330.2
[M+HCOO]- 1646.8368 340.8
[M+CH3COO]- 1660.8525 271.9
[M+Na-2H]- 1622.8133 336.7
[M]+ 1601.8381 326.7
[M]- 1601.8391 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.