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

14
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 156.3
[M+Na]+ 294.03729 162.2
[M-H]- 270.04079 162.0
[M+NH4]+ 289.08189 170.3
[M+K]+ 310.01123 155.5
[M+H-H2O]+ 254.04533 153.4
[M+HCOO]- 316.04627 179.1
[M+CH3COO]- 330.06192 188.9
[M+Na-2H]- 292.02274 161.3
[M]+ 271.04752 154.6
[M]- 271.04862 154.6
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