CID 6434578

Trans-3-chloro-4'-phenylacrylophenone

Structural Information

Molecular Formula
C15H11ClO
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)/C=C/Cl
InChI
InChI=1S/C15H11ClO/c16-11-10-15(17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H/b11-10+
InChIKey
IPQGILWDLLCCRZ-ZHACJKMWSA-N
Compound name
(E)-3-chloro-1-(4-phenylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.04984 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.05712 153.0
[M+Na]+ 265.03906 169.3
[M+NH4]+ 260.08366 162.6
[M+K]+ 281.01300 159.7
[M-H]- 241.04256 158.0
[M+Na-2H]- 263.02451 163.4
[M]+ 242.04929 157.2
[M]- 242.05039 157.2
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.