CID 3062514

Benzophenone, 3-nitro-4,4',5-trimethyl-

Structural Information

Molecular Formula
C16H15NO3
SMILES
CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)C)C)[N+](=O)[O-]
InChI
InChI=1S/C16H15NO3/c1-10-4-6-13(7-5-10)16(18)14-8-11(2)12(3)15(9-14)17(19)20/h4-9H,1-3H3
InChIKey
LDHGAHYQQCKZGF-UHFFFAOYSA-N
Compound name
(3,4-dimethyl-5-nitrophenyl)-(4-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1052 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11248 160.2
[M+Na]+ 292.09442 176.0
[M+NH4]+ 287.13902 168.4
[M+K]+ 308.06836 171.3
[M-H]- 268.09792 166.1
[M+Na-2H]- 290.07987 168.5
[M]+ 269.10465 164.2
[M]- 269.10575 164.2
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.