CID 12924708

4-chloro-2-hydroxybenzoyl chloride

Structural Information

Molecular Formula
C7H4Cl2O2
SMILES
C1=CC(=C(C=C1Cl)O)C(=O)Cl
InChI
InChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(9)11)6(10)3-4/h1-3,10H
InChIKey
CCBOXJLPEZRSSA-UHFFFAOYSA-N
Compound name
4-chloro-2-hydroxybenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

189.95883 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.96611 129.9
[M+Na]+ 212.94805 140.8
[M-H]- 188.95155 132.4
[M+NH4]+ 207.99265 150.5
[M+K]+ 228.92199 135.9
[M+H-H2O]+ 172.95609 127.1
[M+HCOO]- 234.95703 143.8
[M+CH3COO]- 248.97268 177.7
[M+Na-2H]- 210.93350 135.1
[M]+ 189.95828 132.6
[M]- 189.95938 132.6
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