CID 347771

4-chloro-4'-nitrobenzophenone

Structural Information

Molecular Formula
C13H8ClNO3
SMILES
C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C13H8ClNO3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(8-4-10)15(17)18/h1-8H
InChIKey
CLFRUWPJQKSRRT-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(4-nitrophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

220
Patents

261.01926 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.026536 154.6
[M+Na]+ 284.008478 162.3
[M-H]- 260.011984 161.3
[M+NH4]+ 279.053083 170.9
[M+K]+ 299.982418 153.8
[M+H-H2O]+ 244.016520 152.8
[M+HCOO]- 306.017461 175.1
[M+CH3COO]- 320.033111 188.4
[M+Na-2H]- 281.993926 160.7
[M]+ 261.01871142 155.3
[M]- 261.01980858 155.3
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