CID 61054040

2-(2-chlorophenyl)-1-(5-methylfuran-2-yl)ethan-1-one

Structural Information

Molecular Formula
C13H11ClO2
SMILES
CC1=CC=C(O1)C(=O)CC2=CC=CC=C2Cl
InChI
InChI=1S/C13H11ClO2/c1-9-6-7-13(16-9)12(15)8-10-4-2-3-5-11(10)14/h2-7H,8H2,1H3
InChIKey
YNAJBEAMNURBCV-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-1-(5-methylfuran-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.04475 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05203 150.0
[M+Na]+ 257.03397 159.8
[M-H]- 233.03747 157.9
[M+NH4]+ 252.07857 169.4
[M+K]+ 273.00791 156.2
[M+H-H2O]+ 217.04201 144.6
[M+HCOO]- 279.04295 169.6
[M+CH3COO]- 293.05860 189.0
[M+Na-2H]- 255.01942 153.8
[M]+ 234.04420 154.6
[M]- 234.04530 154.6
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.