CID 237479

2-[(4-nitrophenyl)carbamoyl]benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

286.05896 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.06624 160.4
[M+Na]+ 309.04818 172.6
[M+NH4]+ 304.09278 166.3
[M+K]+ 325.02212 170.6
[M-H]- 285.05168 164.3
[M+Na-2H]- 307.03363 167.2
[M]+ 286.05841 162.8
[M]- 286.05951 162.8
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

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