CID 333870

69957-35-3

Structural Information

Molecular Formula
C15H15NO2
SMILES
C1=CC=C(C=C1)CC(CC2=CC=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H15NO2/c17-16(18)15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKey
FLDGUVGMEXSOAB-UHFFFAOYSA-N
Compound name
(2-nitro-3-phenylpropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.11028 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11756 155.4
[M+Na]+ 264.09950 159.8
[M-H]- 240.10300 161.4
[M+NH4]+ 259.14410 171.3
[M+K]+ 280.07344 152.5
[M+H-H2O]+ 224.10754 152.1
[M+HCOO]- 286.10848 179.5
[M+CH3COO]- 300.12413 187.5
[M+Na-2H]- 262.08495 162.2
[M]+ 241.10973 153.1
[M]- 241.11083 153.1
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

No patent data available for this compound.