CID 3625573

4-(1-methyl-1-nitroethyl)benzophenone

Structural Information

Molecular Formula
C16H15NO3
SMILES
CC(C)(C1=CC=C(C=C1)C(=O)C2=CC=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H15NO3/c1-16(2,17(19)20)14-10-8-13(9-11-14)15(18)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKey
ZPIBPFBKDWRMRR-UHFFFAOYSA-N
Compound name
[4-(2-nitropropan-2-yl)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1052 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11248 159.3
[M+Na]+ 292.09442 173.6
[M+NH4]+ 287.13902 167.2
[M+K]+ 308.06836 169.7
[M-H]- 268.09792 164.3
[M+Na-2H]- 290.07987 168.2
[M]+ 269.10465 162.8
[M]- 269.10575 162.8
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

No patent data available for this compound.