CID 562395

37620-37-4

Structural Information

Molecular Formula
C16H13ClO
SMILES
CC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H13ClO/c1-12-2-7-14(8-3-12)16(18)11-6-13-4-9-15(17)10-5-13/h2-11H,1H3
InChIKey
WSEZVGWJTWBTQK-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

256.0655 Da
Monoisotopic Mass

4.1
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

literature stripe

Patent stripe

patents stripe