CID 232055

2-amino-5-chloro-3-nitrobenzoic acid

Structural Information

Molecular Formula
C7H5ClN2O4
SMILES
C1=C(C=C(C(=C1C(=O)O)N)[N+](=O)[O-])Cl
InChI
InChI=1S/C7H5ClN2O4/c8-3-1-4(7(11)12)6(9)5(2-3)10(13)14/h1-2H,9H2,(H,11,12)
InChIKey
BKTMGBPFFCRHST-UHFFFAOYSA-N
Compound name
2-amino-5-chloro-3-nitrobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

215.99379 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.001066 138.5
[M+Na]+ 238.983008 147.2
[M-H]- 214.986514 141.0
[M+NH4]+ 234.027613 156.0
[M+K]+ 254.956948 139.9
[M+H-H2O]+ 198.991050 138.9
[M+HCOO]- 260.991991 158.8
[M+CH3COO]- 275.007641 179.1
[M+Na-2H]- 236.968456 143.7
[M]+ 215.99324142 137.6
[M]- 215.99433858 137.6
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