CID 70839

4-nitrobenzophenone

Structural Information

Molecular Formula
C13H9NO3
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H9NO3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9H
InChIKey
ZYMCBJWUWHHVRX-UHFFFAOYSA-N
Compound name
(4-nitrophenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

3916
Patents

227.05824 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06552 147.6
[M+Na]+ 250.04746 153.9
[M-H]- 226.05096 154.4
[M+NH4]+ 245.09206 164.2
[M+K]+ 266.02140 147.1
[M+H-H2O]+ 210.05550 144.8
[M+HCOO]- 272.05644 172.8
[M+CH3COO]- 286.07209 183.5
[M+Na-2H]- 248.03291 155.0
[M]+ 227.05769 145.6
[M]- 227.05879 145.6
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.