CID 75243

3-nitrobenzophenone

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1633
Patents

227.05824 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.065516 147.6
[M+Na]+ 250.047458 153.9
[M-H]- 226.050964 154.4
[M+NH4]+ 245.092063 164.2
[M+K]+ 266.021398 147.1
[M+H-H2O]+ 210.055500 144.8
[M+HCOO]- 272.056441 172.8
[M+CH3COO]- 286.072091 183.5
[M+Na-2H]- 248.032906 155.0
[M]+ 227.05769142 145.6
[M]- 227.05878858 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

literature stripe

Patent stripe

patents stripe