CID 8501

4-chlorobenzoyl chloride

Structural Information

Molecular Formula
C7H4Cl2O
SMILES
C1=CC(=CC=C1C(=O)Cl)Cl
InChI
InChI=1S/C7H4Cl2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
InChIKey
RKIDDEGICSMIJA-UHFFFAOYSA-N
Compound name
4-chlorobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

29
References

12713
Patents

173.96391 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.971186 127.5
[M+Na]+ 196.953128 137.9
[M-H]- 172.956634 131.0
[M+NH4]+ 191.997733 149.2
[M+K]+ 212.927068 133.3
[M+H-H2O]+ 156.961170 124.3
[M+HCOO]- 218.962111 142.5
[M+CH3COO]- 232.977761 177.2
[M+Na-2H]- 194.938576 133.8
[M]+ 173.96336142 130.2
[M]- 173.96445858 130.2
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