CID 10931466

4-chloro-2h-pyran-2-one

Structural Information

Molecular Formula
C5H3ClO2
SMILES
C1=COC(=O)C=C1Cl
InChI
InChI=1S/C5H3ClO2/c6-4-1-2-8-5(7)3-4/h1-3H
InChIKey
LIHIXRSIJUOGPD-UHFFFAOYSA-N
Compound name
4-chloropyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

129.98216 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.98944 115.8
[M+Na]+ 152.97138 127.0
[M-H]- 128.97488 120.9
[M+NH4]+ 148.01598 137.7
[M+K]+ 168.94532 125.6
[M+H-H2O]+ 112.97942 112.0
[M+HCOO]- 174.98036 136.9
[M+CH3COO]- 188.99601 167.4
[M+Na-2H]- 150.95683 126.2
[M]+ 129.98161 119.4
[M]- 129.98271 119.4
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