CID 78978

Perfluorooctanoyl chloride

Structural Information

Molecular Formula
C8ClF15O
SMILES
C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cl
InChI
InChI=1S/C8ClF15O/c9-1(25)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24
InChIKey
AQQBRCXWZZAFOK-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2705
References

723
Patents

431.93982 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.94710 172.2
[M+Na]+ 454.92904 182.6
[M-H]- 430.93254 157.4
[M+NH4]+ 449.97364 164.4
[M+K]+ 470.90298 177.8
[M+H-H2O]+ 414.93708 158.6
[M+HCOO]- 476.93802 175.1
[M+CH3COO]- 490.95367 224.6
[M+Na-2H]- 452.91449 175.0
[M]+ 431.93927 151.1
[M]- 431.94037 151.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe