CID 61056249

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

Structural Information

Molecular Formula
C12H9ClO2
SMILES
C1=CC=C(C(=C1)CC(=O)C2=COC=C2)Cl
InChI
InChI=1S/C12H9ClO2/c13-11-4-2-1-3-9(11)7-12(14)10-5-6-15-8-10/h1-6,8H,7H2
InChIKey
WHQQFZOJYYSEQT-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-1-(furan-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.02911 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.036386 145.8
[M+Na]+ 243.018328 155.0
[M-H]- 219.021834 153.4
[M+NH4]+ 238.062933 165.4
[M+K]+ 258.992268 151.7
[M+H-H2O]+ 203.026370 140.2
[M+HCOO]- 265.027311 165.7
[M+CH3COO]- 279.042961 184.9
[M+Na-2H]- 241.003776 150.7
[M]+ 220.02856142 149.6
[M]- 220.02965858 149.6
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.