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 160.5
[M+Na]+ 292.09442 166.0
[M-H]- 268.09792 167.2
[M+NH4]+ 287.13902 175.5
[M+K]+ 308.06836 159.0
[M+H-H2O]+ 252.10246 157.7
[M+HCOO]- 314.10340 183.1
[M+CH3COO]- 328.11905 192.7
[M+Na-2H]- 290.07987 167.6
[M]+ 269.10465 159.1
[M]- 269.10575 159.1
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.