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]+ 221.03639 145.8
[M+Na]+ 243.01833 155.0
[M-H]- 219.02183 153.4
[M+NH4]+ 238.06293 165.4
[M+K]+ 258.99227 151.7
[M+H-H2O]+ 203.02637 140.2
[M+HCOO]- 265.02731 165.7
[M+CH3COO]- 279.04296 184.9
[M+Na-2H]- 241.00378 150.7
[M]+ 220.02856 149.6
[M]- 220.02966 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.