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

90
Patents

259.04807 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.055346 152.6
[M+Na]+ 282.037288 159.4
[M-H]- 258.040794 157.4
[M+NH4]+ 277.081893 166.8
[M+K]+ 298.011228 152.1
[M+H-H2O]+ 242.045330 150.1
[M+HCOO]- 304.046271 175.1
[M+CH3COO]- 318.061921 184.7
[M+Na-2H]- 280.022736 158.2
[M]+ 259.04752142 150.5
[M]- 259.04861858 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