CID 5388430

3-(2-chlorophenyl)-1-(4-methylphenyl)-2-propen-1-one

Structural Information

Molecular Formula
C16H13ClO
SMILES
CC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2Cl
InChI
InChI=1S/C16H13ClO/c1-12-6-8-14(9-7-12)16(18)11-10-13-4-2-3-5-15(13)17/h2-11H,1H3/b11-10+
InChIKey
QXADQJCWOIEYOS-ZHACJKMWSA-N
Compound name
(E)-3-(2-chlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.0655 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07278 156.1
[M+Na]+ 279.05472 165.0
[M-H]- 255.05822 162.8
[M+NH4]+ 274.09932 174.0
[M+K]+ 295.02866 158.6
[M+H-H2O]+ 239.06276 149.7
[M+HCOO]- 301.06370 174.9
[M+CH3COO]- 315.07935 194.6
[M+Na-2H]- 277.04017 160.0
[M]+ 256.06495 158.2
[M]- 256.06605 158.2
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

No patent data available for this compound.