CID 19064965

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

Structural Information

Molecular Formula
C8H8ClNO3
SMILES
COC1=C(C=C(C(=C1)C(=O)O)N)Cl
InChI
InChI=1S/C8H8ClNO3/c1-13-7-2-4(8(11)12)6(10)3-5(7)9/h2-3H,10H2,1H3,(H,11,12)
InChIKey
UIXXZKAAGMGUFZ-UHFFFAOYSA-N
Compound name
2-amino-4-chloro-5-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

201.01927 Da
Monoisotopic Mass

1.9
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

No literature data available for this compound.

Patent stripe

patents stripe