CID 81626

4-amino-5-chloro-2-methoxybenzoic acid

Structural Information

Molecular Formula
C8H8ClNO3
SMILES
COC1=CC(=C(C=C1C(=O)O)Cl)N
InChI
InChI=1S/C8H8ClNO3/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3H,10H2,1H3,(H,11,12)
InChIKey
RVEATKYEARPWRE-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-2-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1621
Patents

201.01927 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.026546 137.4
[M+Na]+ 224.008488 147.4
[M-H]- 200.011994 140.2
[M+NH4]+ 219.053093 156.8
[M+K]+ 239.982428 144.0
[M+H-H2O]+ 184.016530 133.2
[M+HCOO]- 246.017471 156.5
[M+CH3COO]- 260.033121 183.5
[M+Na-2H]- 221.993936 141.1
[M]+ 201.01872142 139.5
[M]- 201.01981858 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe