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

19
Patents

201.01927 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.02655 137.5
[M+Na]+ 224.00849 149.8
[M+NH4]+ 219.05309 145.1
[M+K]+ 239.98243 145.0
[M-H]- 200.01199 138.7
[M+Na-2H]- 221.99394 142.8
[M]+ 201.01872 139.7
[M]- 201.01982 139.7
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