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
1
Annotation Hits

0
References

1614
Patents

175.98405 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.99133 125.3
[M+Na]+ 198.97327 136.4
[M-H]- 174.97677 127.1
[M+NH4]+ 194.01787 146.7
[M+K]+ 214.94721 132.5
[M+H-H2O]+ 158.98131 119.6
[M+HCOO]- 220.98225 143.4
[M+CH3COO]- 234.99790 178.9
[M+Na-2H]- 196.95872 130.6
[M]+ 175.98350 125.2
[M]- 175.98460 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