CID 3356616

(2,6-dichlorophenyl)(phenyl)methanone

Structural Information

Molecular Formula
C13H8Cl2O
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C13H8Cl2O/c14-10-7-4-8-11(15)12(10)13(16)9-5-2-1-3-6-9/h1-8H
InChIKey
CVXUBCVZKVCBCU-UHFFFAOYSA-N
Compound name
(2,6-dichlorophenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

249.99522 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.00250 150.5
[M+Na]+ 272.98444 168.0
[M+NH4]+ 268.02904 160.7
[M+K]+ 288.95838 158.5
[M-H]- 248.98794 155.7
[M+Na-2H]- 270.96989 161.2
[M]+ 249.99467 155.4
[M]- 249.99577 155.4
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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