CID 5048406

1-(alpha,alpha-dimethylbenzyl)-4-nitrobenzene

Structural Information

Molecular Formula
C15H15NO2
SMILES
CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H15NO2/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(11-9-13)16(17)18/h3-11H,1-2H3
InChIKey
PLUFIEMAHLUXSZ-UHFFFAOYSA-N
Compound name
1-nitro-4-(2-phenylpropan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

241.11028 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11756 153.2
[M+Na]+ 264.09950 168.6
[M+NH4]+ 259.14410 162.4
[M+K]+ 280.07344 163.6
[M-H]- 240.10300 159.3
[M+Na-2H]- 262.08495 163.3
[M]+ 241.10973 157.3
[M]- 241.11083 157.3
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