CID 228016

1-(4-methylphenyl)-2-phenylethan-1-one

Structural Information

Molecular Formula
C15H14O
SMILES
CC1=CC=C(C=C1)C(=O)CC2=CC=CC=C2
InChI
InChI=1S/C15H14O/c1-12-7-9-14(10-8-12)15(16)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey
RDBAEHHVVNBKBB-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-2-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

203
Patents

210.10446 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.11174 146.3
[M+Na]+ 233.09368 153.5
[M-H]- 209.09718 153.0
[M+NH4]+ 228.13828 164.8
[M+K]+ 249.06762 149.8
[M+H-H2O]+ 193.10172 139.2
[M+HCOO]- 255.10266 169.8
[M+CH3COO]- 269.11831 188.2
[M+Na-2H]- 231.07913 152.0
[M]+ 210.10391 146.2
[M]- 210.10501 146.2
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