CID 66098

3-chlorobenzophenone

Structural Information

Molecular Formula
C13H9ClO
SMILES
C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H9ClO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H
InChIKey
CPLWKNRPZVNELG-UHFFFAOYSA-N
Compound name
(3-chlorophenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

564
Patents

216.0342 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.04148 144.4
[M+Na]+ 239.02342 161.2
[M+NH4]+ 234.06802 154.7
[M+K]+ 254.99736 152.1
[M-H]- 215.02692 149.8
[M+Na-2H]- 237.00887 155.5
[M]+ 216.03365 148.9
[M]- 216.03475 148.9
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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