CID 6162622

(2e)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one

Structural Information

Molecular Formula
C16H14O
SMILES
CC1=CC(=CC=C1)/C=C/C(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H14O/c1-13-6-5-7-14(12-13)10-11-16(17)15-8-3-2-4-9-15/h2-12H,1H3/b11-10+
InChIKey
VQLMDARIPJTTAH-ZHACJKMWSA-N
Compound name
(E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

222.10446 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.111736 149.9
[M+Na]+ 245.093678 157.0
[M-H]- 221.097184 156.5
[M+NH4]+ 240.138283 168.0
[M+K]+ 261.067618 152.5
[M+H-H2O]+ 205.101720 142.7
[M+HCOO]- 267.102661 173.3
[M+CH3COO]- 281.118311 189.7
[M+Na-2H]- 243.079126 155.1
[M]+ 222.10391142 149.4
[M]- 222.10500858 149.4
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