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 160.1
[M+Na]+ 292.09442 167.9
[M-H]- 268.09792 167.5
[M+NH4]+ 287.13902 175.9
[M+K]+ 308.06836 160.5
[M+H-H2O]+ 252.10246 157.3
[M+HCOO]- 314.10340 184.2
[M+CH3COO]- 328.11905 195.9
[M+Na-2H]- 290.07987 164.1
[M]+ 269.10465 160.4
[M]- 269.10575 160.4
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.