CID 75071

2-amino-6-chlorobenzoic acid

Structural Information

Molecular Formula
C7H6ClNO2
SMILES
C1=CC(=C(C(=C1)Cl)C(=O)O)N
InChI
InChI=1S/C7H6ClNO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey
SZCPTRGBOVXVCA-UHFFFAOYSA-N
Compound name
2-amino-6-chlorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1955
Patents

171.00871 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.01599 130.5
[M+Na]+ 193.99793 140.1
[M-H]- 170.00143 133.1
[M+NH4]+ 189.04253 150.9
[M+K]+ 209.97187 136.3
[M+H-H2O]+ 154.00597 126.5
[M+HCOO]- 216.00691 149.8
[M+CH3COO]- 230.02256 177.1
[M+Na-2H]- 191.98338 135.4
[M]+ 171.00816 130.4
[M]- 171.00926 130.4
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