CID 2757666

(4-chlorophenyl)(3-methylphenyl)methanone

Structural Information

Molecular Formula
C14H11ClO
SMILES
CC1=CC(=CC=C1)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H11ClO/c1-10-3-2-4-12(9-10)14(16)11-5-7-13(15)8-6-11/h2-9H,1H3
InChIKey
QNLZAQKYBMIIPN-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(3-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

230.04984 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.05712 147.5
[M+Na]+ 253.03906 156.9
[M-H]- 229.04256 154.6
[M+NH4]+ 248.08366 166.5
[M+K]+ 269.01300 151.6
[M+H-H2O]+ 213.04710 141.5
[M+HCOO]- 275.04804 166.8
[M+CH3COO]- 289.06369 190.1
[M+Na-2H]- 251.02451 152.6
[M]+ 230.04929 149.8
[M]- 230.05039 149.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe