CID 102918

3-acetyl-3-chlorodihydrofuran-2(3h)-one

Structural Information

Molecular Formula
C6H7ClO3
SMILES
CC(=O)C1(CCOC1=O)Cl
InChI
InChI=1S/C6H7ClO3/c1-4(8)6(7)2-3-10-5(6)9/h2-3H2,1H3
InChIKey
CYCRRRIREKXQTK-UHFFFAOYSA-N
Compound name
3-acetyl-3-chlorooxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

162.00838 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.01566 127.3
[M+Na]+ 184.99760 136.7
[M-H]- 161.00110 131.9
[M+NH4]+ 180.04220 151.3
[M+K]+ 200.97154 135.8
[M+H-H2O]+ 145.00564 124.7
[M+HCOO]- 207.00658 145.2
[M+CH3COO]- 221.02223 172.8
[M+Na-2H]- 182.98305 133.0
[M]+ 162.00783 129.3
[M]- 162.00893 129.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe