CID 137225

4-nitrodiphenylmethane

Structural Information

Molecular Formula
C13H11NO2
SMILES
C1=CC=C(C=C1)CC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H11NO2/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
IDSGFSCSMXRJON-UHFFFAOYSA-N
Compound name
1-benzyl-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

387
Patents

213.07898 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.086256 145.5
[M+Na]+ 236.068198 152.0
[M-H]- 212.071704 152.3
[M+NH4]+ 231.112803 163.0
[M+K]+ 252.042138 144.7
[M+H-H2O]+ 196.076240 142.8
[M+HCOO]- 258.077181 171.3
[M+CH3COO]- 272.092831 181.8
[M+Na-2H]- 234.053646 154.0
[M]+ 213.07843142 143.6
[M]- 213.07952858 143.6
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