CID 12689827

72867-72-2

Structural Information

Molecular Formula
C14H11ClO
SMILES
C1=CC=C(C=C1)CC(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C14H11ClO/c15-13-9-5-4-8-12(13)14(16)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKey
PYTHIEVNGSYRFO-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-2-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

230.04984 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.05712 148.2
[M+Na]+ 253.03906 156.7
[M-H]- 229.04256 154.8
[M+NH4]+ 248.08366 166.8
[M+K]+ 269.01300 151.3
[M+H-H2O]+ 213.04710 141.9
[M+HCOO]- 275.04804 167.5
[M+CH3COO]- 289.06369 189.0
[M+Na-2H]- 251.02451 153.9
[M]+ 230.04929 150.0
[M]- 230.05039 150.0
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