CID 12736046

Perfluorohexanoyl chloride

Structural Information

Molecular Formula
C6ClF11O
SMILES
C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)Cl
InChI
InChI=1S/C6ClF11O/c7-1(19)2(8,9)3(10,11)4(12,13)5(14,15)6(16,17)18
InChIKey
CUPWBYQOIFVEGA-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

65
Patents

331.9462 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.95348 150.3
[M+Na]+ 354.93542 160.8
[M-H]- 330.93892 138.6
[M+NH4]+ 349.98002 164.2
[M+K]+ 370.90936 156.6
[M+H-H2O]+ 314.94346 139.3
[M+HCOO]- 376.94440 150.2
[M+CH3COO]- 390.96005 206.7
[M+Na-2H]- 352.92087 154.1
[M]+ 331.94565 135.6
[M]- 331.94675 135.6
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

patents stripe