CID 519549

2,3-difluorobenzoyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1441
Patents

175.98405 Da
Monoisotopic Mass

2.6
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

literature stripe

Patent stripe

patents stripe