CID 3022517

3-chloro-2-hydroxybenzoyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

189.95883 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.966106 129.9
[M+Na]+ 212.948048 140.8
[M-H]- 188.951554 132.4
[M+NH4]+ 207.992653 150.5
[M+K]+ 228.921988 135.9
[M+H-H2O]+ 172.956090 127.1
[M+HCOO]- 234.957031 143.8
[M+CH3COO]- 248.972681 177.7
[M+Na-2H]- 210.933496 135.1
[M]+ 189.95828142 132.6
[M]- 189.95937858 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