CID 61276674

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

Structural Information

Molecular Formula
C12H13ClO2
SMILES
C1COCC1C(=O)CC2=CC=CC=C2Cl
InChI
InChI=1S/C12H13ClO2/c13-11-4-2-1-3-9(11)7-12(14)10-5-6-15-8-10/h1-4,10H,5-8H2
InChIKey
WKELVGDAWDAQFI-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-1-(oxolan-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.06041 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06769 149.2
[M+Na]+ 247.04963 156.3
[M-H]- 223.05313 156.0
[M+NH4]+ 242.09423 168.4
[M+K]+ 263.02357 153.4
[M+H-H2O]+ 207.05767 143.6
[M+HCOO]- 269.05861 166.2
[M+CH3COO]- 283.07426 185.6
[M+Na-2H]- 245.03508 152.1
[M]+ 224.05986 150.0
[M]- 224.06096 150.0
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.