CID 2724519

3,4-difluorobenzoyl chloride

Structural Information

Molecular Formula
C7H3ClF2O
SMILES
C1=CC(=C(C=C1C(=O)Cl)F)F
InChI
InChI=1S/C7H3ClF2O/c8-7(11)4-1-2-5(9)6(10)3-4/h1-3H
InChIKey
RPQWXGVZELKOEU-UHFFFAOYSA-N
Compound name
3,4-difluorobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1643
Patents

175.98405 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.991326 125.3
[M+Na]+ 198.973268 136.4
[M-H]- 174.976774 127.1
[M+NH4]+ 194.017873 146.7
[M+K]+ 214.947208 132.5
[M+H-H2O]+ 158.981310 119.6
[M+HCOO]- 220.982251 143.4
[M+CH3COO]- 234.997901 178.9
[M+Na-2H]- 196.958716 130.6
[M]+ 175.98350142 125.2
[M]- 175.98459858 125.2
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