CID 13498830

2-chloro-4-hydroxy-benzoic acid methyl ester

Structural Information

Molecular Formula
C8H7ClO3
SMILES
COC(=O)C1=C(C=C(C=C1)O)Cl
InChI
InChI=1S/C8H7ClO3/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4,10H,1H3
InChIKey
BJZFMXJQJZUATE-UHFFFAOYSA-N
Compound name
methyl 2-chloro-4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

308
Patents

186.00838 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.015656 132.2
[M+Na]+ 208.997598 142.4
[M-H]- 185.001104 135.4
[M+NH4]+ 204.042203 152.7
[M+K]+ 224.971538 139.3
[M+H-H2O]+ 169.005640 128.3
[M+HCOO]- 231.006581 151.1
[M+CH3COO]- 245.022231 177.2
[M+Na-2H]- 206.983046 137.6
[M]+ 186.00783142 135.7
[M]- 186.00892858 135.7
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