CID 2777017

2,3,5-trifluorobenzoyl chloride

Structural Information

Molecular Formula
C7H2ClF3O
SMILES
C1=C(C=C(C(=C1C(=O)Cl)F)F)F
InChI
InChI=1S/C7H2ClF3O/c8-7(12)4-1-3(9)2-5(10)6(4)11/h1-2H
InChIKey
QTIPHWWHHRFTNO-UHFFFAOYSA-N
Compound name
2,3,5-trifluorobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

193.97462 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.98190 126.9
[M+Na]+ 216.96384 139.0
[M-H]- 192.96734 127.7
[M+NH4]+ 212.00844 147.8
[M+K]+ 232.93778 134.7
[M+H-H2O]+ 176.97188 120.5
[M+HCOO]- 238.97282 143.9
[M+CH3COO]- 252.98847 182.8
[M+Na-2H]- 214.94929 131.0
[M]+ 193.97407 126.0
[M]- 193.97517 126.0
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

patents stripe