CID 22505712

2-hydroxy-3''-nitro-biphenyl-3-carboxylic acid

Structural Information

Molecular Formula
C13H9NO5
SMILES
C1=CC(=CC(=C1)C(=O)O)C2=C(C(=CC=C2)[N+](=O)[O-])O
InChI
InChI=1S/C13H9NO5/c15-12-10(5-2-6-11(12)14(18)19)8-3-1-4-9(7-8)13(16)17/h1-7,15H,(H,16,17)
InChIKey
JCFPSTQCDAZKJN-UHFFFAOYSA-N
Compound name
3-(2-hydroxy-3-nitrophenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

259.04807 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05535 152.6
[M+Na]+ 282.03729 159.4
[M-H]- 258.04079 157.4
[M+NH4]+ 277.08189 166.8
[M+K]+ 298.01123 152.1
[M+H-H2O]+ 242.04533 150.1
[M+HCOO]- 304.04627 175.1
[M+CH3COO]- 318.06192 184.7
[M+Na-2H]- 280.02274 158.2
[M]+ 259.04752 150.5
[M]- 259.04862 150.5
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