CID 5709470

86710-06-7

Structural Information

Molecular Formula
C17H15ClO
SMILES
CC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=CC=C2Cl)C
InChI
InChI=1S/C17H15ClO/c1-12-7-9-15(13(2)11-12)17(19)10-8-14-5-3-4-6-16(14)18/h3-11H,1-2H3/b10-8+
InChIKey
AYALQLDHRWSCRD-CSKARUKUSA-N
Compound name
(E)-3-(2-chlorophenyl)-1-(2,4-dimethylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

270.08115 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08843 160.0
[M+Na]+ 293.07037 169.4
[M-H]- 269.07387 166.9
[M+NH4]+ 288.11497 177.7
[M+K]+ 309.04431 162.8
[M+H-H2O]+ 253.07841 153.7
[M+HCOO]- 315.07935 178.5
[M+CH3COO]- 329.09500 198.7
[M+Na-2H]- 291.05582 162.7
[M]+ 270.08060 162.9
[M]- 270.08170 162.9
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