CID 10198217

2-chloro-4,5-difluorobenzoyl chloride

Structural Information

Molecular Formula
C7H2Cl2F2O
SMILES
C1=C(C(=CC(=C1F)F)Cl)C(=O)Cl
InChI
InChI=1S/C7H2Cl2F2O/c8-4-2-6(11)5(10)1-3(4)7(9)12/h1-2H
InChIKey
WVGSPMZLNNRZRH-UHFFFAOYSA-N
Compound name
2-chloro-4,5-difluorobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

209.94508 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.95236 129.6
[M+Na]+ 232.93430 141.9
[M-H]- 208.93780 131.0
[M+NH4]+ 227.97890 150.3
[M+K]+ 248.90824 136.6
[M+H-H2O]+ 192.94234 125.0
[M+HCOO]- 254.94328 142.6
[M+CH3COO]- 268.95893 184.8
[M+Na-2H]- 230.91975 133.6
[M]+ 209.94453 131.0
[M]- 209.94563 131.0
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