CID 144895

2,4,6-trifluorobenzoyl chloride

Structural Information

Molecular Formula
C7H2ClF3O
SMILES
C1=C(C=C(C(=C1F)C(=O)Cl)F)F
InChI
InChI=1S/C7H2ClF3O/c8-7(12)6-4(10)1-3(9)2-5(6)11/h1-2H
InChIKey
SIFIJQFBERMWMU-UHFFFAOYSA-N
Compound name
2,4,6-trifluorobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

505
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

literature stripe

Patent stripe

patents stripe