CID 12725124

(2-nitrophenyl)(pyridin-3-yl)methanol

Structural Information

Molecular Formula
C12H10N2O3
SMILES
C1=CC=C(C(=C1)C(C2=CN=CC=C2)O)[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O3/c15-12(9-4-3-7-13-8-9)10-5-1-2-6-11(10)14(16)17/h1-8,12,15H
InChIKey
ILBZRJIMVDYIQQ-UHFFFAOYSA-N
Compound name
(2-nitrophenyl)-pyridin-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

230.06914 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07642 147.2
[M+Na]+ 253.05836 161.8
[M+NH4]+ 248.10296 155.1
[M+K]+ 269.03230 158.2
[M-H]- 229.06186 151.8
[M+Na-2H]- 251.04381 156.2
[M]+ 230.06859 150.5
[M]- 230.06969 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