CID 3349642

88837-70-1

Structural Information

Molecular Formula
C15H15NO2
SMILES
CC(C(C1=CC=CC=C1)C2=CC=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H15NO2/c1-12(16(17)18)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15H,1H3
InChIKey
REYXTZHGIGOQLV-UHFFFAOYSA-N
Compound name
(2-nitro-1-phenylpropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

241.11028 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.117556 155.0
[M+Na]+ 264.099498 159.0
[M-H]- 240.103004 161.0
[M+NH4]+ 259.144103 170.8
[M+K]+ 280.073438 152.3
[M+H-H2O]+ 224.107540 151.8
[M+HCOO]- 286.108481 178.1
[M+CH3COO]- 300.124131 188.2
[M+Na-2H]- 262.084946 160.6
[M]+ 241.10973142 152.0
[M]- 241.11082858 152.0
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