CID 16218063

2-chloro-3-methoxybenzoic acid

Structural Information

Molecular Formula
C8H7ClO3
SMILES
COC1=CC=CC(=C1Cl)C(=O)O
InChI
InChI=1S/C8H7ClO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey
VIUDWLLKFANPLX-UHFFFAOYSA-N
Compound name
2-chloro-3-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

237
Patents

186.00838 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.01566 133.0
[M+Na]+ 208.99760 146.6
[M+NH4]+ 204.04220 141.3
[M+K]+ 224.97154 140.9
[M-H]- 185.00110 134.2
[M+Na-2H]- 206.98305 139.4
[M]+ 186.00783 135.5
[M]- 186.00893 135.5
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