CID 63947744

2-(2-chloro-4-fluorophenyl)-1-(furan-3-yl)ethan-1-one

Structural Information

Molecular Formula
C12H8ClFO2
SMILES
C1=CC(=C(C=C1F)Cl)CC(=O)C2=COC=C2
InChI
InChI=1S/C12H8ClFO2/c13-11-6-10(14)2-1-8(11)5-12(15)9-3-4-16-7-9/h1-4,6-7H,5H2
InChIKey
ZVBSUVOIDLZNDZ-UHFFFAOYSA-N
Compound name
2-(2-chloro-4-fluorophenyl)-1-(furan-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.01968 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.02696 147.6
[M+Na]+ 261.00890 157.9
[M-H]- 237.01240 154.2
[M+NH4]+ 256.05350 166.7
[M+K]+ 276.98284 154.1
[M+H-H2O]+ 221.01694 141.4
[M+HCOO]- 283.01788 166.5
[M+CH3COO]- 297.03353 188.7
[M+Na-2H]- 258.99435 151.4
[M]+ 238.01913 150.8
[M]- 238.02023 150.8
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.