CID 61055241

2-(2-chlorophenyl)-1-(2-methylfuran-3-yl)ethan-1-one

Structural Information

Molecular Formula
C13H11ClO2
SMILES
CC1=C(C=CO1)C(=O)CC2=CC=CC=C2Cl
InChI
InChI=1S/C13H11ClO2/c1-9-11(6-7-16-9)13(15)8-10-4-2-3-5-12(10)14/h2-7H,8H2,1H3
InChIKey
KOGKSZYOMQXZLF-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-1-(2-methylfuran-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.04475 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05203 148.9
[M+Na]+ 257.03397 163.8
[M+NH4]+ 252.07857 158.1
[M+K]+ 273.00791 158.2
[M-H]- 233.03747 154.1
[M+Na-2H]- 255.01942 156.8
[M]+ 234.04420 152.9
[M]- 234.04530 152.9
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

No patent data available for this compound.