CID 50883018

3-chloro-2-hydroxy-5-methoxybenzoic acid

Structural Information

Molecular Formula
C8H7ClO4
SMILES
COC1=CC(=C(C(=C1)Cl)O)C(=O)O
InChI
InChI=1S/C8H7ClO4/c1-13-4-2-5(8(11)12)7(10)6(9)3-4/h2-3,10H,1H3,(H,11,12)
InChIKey
ZTABOFPXDOTMLK-UHFFFAOYSA-N
Compound name
3-chloro-2-hydroxy-5-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.00328 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.010556 134.6
[M+Na]+ 224.992498 145.0
[M-H]- 200.996004 136.6
[M+NH4]+ 220.037103 153.8
[M+K]+ 240.966438 141.7
[M+H-H2O]+ 185.000540 130.9
[M+HCOO]- 247.001481 152.1
[M+CH3COO]- 261.017131 178.7
[M+Na-2H]- 222.977946 138.8
[M]+ 202.00273142 138.1
[M]- 202.00382858 138.1
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

No patent data available for this compound.