CID 569532

2-benzoyl-6-nitrobenzoic acid

Structural Information

Molecular Formula
C14H9NO5
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C14H9NO5/c16-13(9-5-2-1-3-6-9)10-7-4-8-11(15(19)20)12(10)14(17)18/h1-8H,(H,17,18)
InChIKey
WRXSPQXXLMCAGM-UHFFFAOYSA-N
Compound name
2-benzoyl-6-nitrobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

271.04807 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05535 156.2
[M+Na]+ 294.03729 169.7
[M+NH4]+ 289.08189 162.7
[M+K]+ 310.01123 167.4
[M-H]- 270.04079 159.9
[M+Na-2H]- 292.02274 163.4
[M]+ 271.04752 158.9
[M]- 271.04862 158.9
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