CID 5743478

1-(4-chlorophenyl)-1-phenylacetone

Structural Information

Molecular Formula
C15H13ClO
SMILES
CC(=O)C(C1=CC=CC=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H13ClO/c1-11(17)15(12-5-3-2-4-6-12)13-7-9-14(16)10-8-13/h2-10,15H,1H3
InChIKey
HPHDIGRPTJQBIS-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-1-phenylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

244.06549 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.07277 152.5
[M+Na]+ 267.05471 160.3
[M-H]- 243.05821 159.1
[M+NH4]+ 262.09931 170.5
[M+K]+ 283.02865 155.1
[M+H-H2O]+ 227.06275 146.2
[M+HCOO]- 289.06369 170.5
[M+CH3COO]- 303.07934 192.8
[M+Na-2H]- 265.04016 156.6
[M]+ 244.06494 154.2
[M]- 244.06604 154.2
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