CID 69292

2-[(4-nitrophenyl)methyl]pyridine

Structural Information

Molecular Formula
C12H10N2O2
SMILES
C1=CC=NC(=C1)CC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O2/c15-14(16)12-6-4-10(5-7-12)9-11-3-1-2-8-13-11/h1-8H,9H2
InChIKey
YBRDBYGCEIDLBX-UHFFFAOYSA-N
Compound name
2-[(4-nitrophenyl)methyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

171
Patents

214.07423 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.081506 144.7
[M+Na]+ 237.063448 151.6
[M-H]- 213.066954 150.2
[M+NH4]+ 232.108053 160.8
[M+K]+ 253.037388 144.3
[M+H-H2O]+ 197.071490 141.1
[M+HCOO]- 259.072431 169.5
[M+CH3COO]- 273.088081 181.4
[M+Na-2H]- 235.048896 154.2
[M]+ 214.07368142 142.8
[M]- 214.07477858 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe