CID 75256

Pentafluorobenzoyl chloride

Structural Information

Molecular Formula
C7ClF5O
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)Cl
InChI
InChI=1S/C7ClF5O/c8-7(14)1-2(9)4(11)6(13)5(12)3(1)10
InChIKey
MYHOHFDYWMPGJY-UHFFFAOYSA-N
Compound name
2,3,4,5,6-pentafluorobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

66
References

1489
Patents

229.95578 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.96306 130.5
[M+Na]+ 252.94500 144.4
[M-H]- 228.94850 129.2
[M+NH4]+ 247.98960 150.3
[M+K]+ 268.91894 139.4
[M+H-H2O]+ 212.95304 122.7
[M+HCOO]- 274.95398 145.3
[M+CH3COO]- 288.96963 191.0
[M+Na-2H]- 250.93045 132.1
[M]+ 229.95523 127.9
[M]- 229.95633 127.9
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