CID 93681

2-(2-chlorophenyl)-1-phenylethan-1-one

Structural Information

Molecular Formula
C14H11ClO
SMILES
C1=CC=C(C=C1)C(=O)CC2=CC=CC=C2Cl
InChI
InChI=1S/C14H11ClO/c15-13-9-5-4-8-12(13)10-14(16)11-6-2-1-3-7-11/h1-9H,10H2
InChIKey
AMQKCOCKRZUDKQ-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

50
Patents

230.04984 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.057116 148.2
[M+Na]+ 253.039058 156.7
[M-H]- 229.042564 154.8
[M+NH4]+ 248.083663 166.8
[M+K]+ 269.012998 151.3
[M+H-H2O]+ 213.047100 141.9
[M+HCOO]- 275.048041 167.5
[M+CH3COO]- 289.063691 189.0
[M+Na-2H]- 251.024506 153.9
[M]+ 230.04929142 150.0
[M]- 230.05038858 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