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 152.1
[M+Na]+ 265.03906 160.5
[M-H]- 241.04256 158.6
[M+NH4]+ 260.08366 170.2
[M+K]+ 281.01300 154.2
[M+H-H2O]+ 225.04710 145.7
[M+HCOO]- 287.04804 171.2
[M+CH3COO]- 301.06369 190.5
[M+Na-2H]- 263.02451 157.2
[M]+ 242.04929 153.5
[M]- 242.05039 153.5
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.