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]+ 203.01056 136.2
[M+Na]+ 224.99250 149.0
[M+NH4]+ 220.03710 143.5
[M+K]+ 240.96644 144.5
[M-H]- 200.99600 136.3
[M+Na-2H]- 222.97795 141.3
[M]+ 202.00273 138.1
[M]- 202.00383 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.