CID 2771678

3-nitro-2-(phenylamino)benzoic acid

Structural Information

Molecular Formula
C13H10N2O4
SMILES
C1=CC=C(C=C1)NC2=C(C=CC=C2[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C13H10N2O4/c16-13(17)10-7-4-8-11(15(18)19)12(10)14-9-5-2-1-3-6-9/h1-8,14H,(H,16,17)
InChIKey
WBCLJNZXAOMGGR-UHFFFAOYSA-N
Compound name
2-anilino-3-nitrobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

258.06406 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07134 154.2
[M+Na]+ 281.05328 167.4
[M+NH4]+ 276.09788 161.3
[M+K]+ 297.02722 164.3
[M-H]- 257.05678 159.1
[M+Na-2H]- 279.03873 162.2
[M]+ 258.06351 157.2
[M]- 258.06461 157.2
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