CID 349243

19336-84-6

Structural Information

Molecular Formula
C14H10N2O5
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C14H10N2O5/c17-13(11-6-1-2-7-12(11)14(18)19)15-9-4-3-5-10(8-9)16(20)21/h1-8H,(H,15,17)(H,18,19)
InChIKey
YXVQPOZILUGWQW-UHFFFAOYSA-N
Compound name
2-[(3-nitrophenyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

4
Patents

286.05896 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.06624 159.5
[M+Na]+ 309.04818 164.4
[M-H]- 285.05168 165.0
[M+NH4]+ 304.09278 172.5
[M+K]+ 325.02212 157.7
[M+H-H2O]+ 269.05622 156.1
[M+HCOO]- 331.05716 183.3
[M+CH3COO]- 345.07281 193.2
[M+Na-2H]- 307.03363 165.1
[M]+ 286.05841 156.9
[M]- 286.05951 156.9
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