CID 118591

2-chloro-5-nitrobenzophenone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

379
Patents

261.01926 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.02654 154.6
[M+Na]+ 284.00848 162.3
[M-H]- 260.01198 161.3
[M+NH4]+ 279.05308 170.9
[M+K]+ 299.98242 153.8
[M+H-H2O]+ 244.01652 152.8
[M+HCOO]- 306.01746 175.1
[M+CH3COO]- 320.03311 188.4
[M+Na-2H]- 281.99393 160.7
[M]+ 261.01871 155.3
[M]- 261.01981 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

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