CID 22237

5953-00-4

Structural Information

Molecular Formula
C14H11ClO
SMILES
CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C14H11ClO/c1-10-6-8-11(9-7-10)14(16)12-4-2-3-5-13(12)15/h2-9H,1H3
InChIKey
WIKUXHHNKRKVGJ-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)-(4-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

113
Patents

230.04984 Da
Monoisotopic Mass

4.1
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

literature stripe

Patent stripe

patents stripe