CID 69252

3-chlorobenzoyl chloride

Structural Information

Molecular Formula
C7H4Cl2O
SMILES
C1=CC(=CC(=C1)Cl)C(=O)Cl
InChI
InChI=1S/C7H4Cl2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H
InChIKey
WHIHIKVIWVIIER-UHFFFAOYSA-N
Compound name
3-chlorobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4568
Patents

173.96391 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.97119 128.6
[M+Na]+ 196.95313 143.9
[M+NH4]+ 191.99773 138.5
[M+K]+ 212.92707 136.2
[M-H]- 172.95663 131.1
[M+Na-2H]- 194.93858 136.9
[M]+ 173.96336 132.2
[M]- 173.96446 132.2
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