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]+ 270.112476 160.1
[M+Na]+ 292.094418 167.9
[M-H]- 268.097924 167.5
[M+NH4]+ 287.139023 175.9
[M+K]+ 308.068358 160.5
[M+H-H2O]+ 252.102460 157.3
[M+HCOO]- 314.103401 184.2
[M+CH3COO]- 328.119051 195.9
[M+Na-2H]- 290.079866 164.1
[M]+ 269.10465142 160.4
[M]- 269.10574858 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.