CID 114824049

1603529-15-2

Structural Information

Molecular Formula
C7H11ClO2
SMILES
CC1CC(CO1)C(=O)CCl
InChI
InChI=1S/C7H11ClO2/c1-5-2-6(4-10-5)7(9)3-8/h5-6H,2-4H2,1H3
InChIKey
PSHBNNYDPZWVMG-UHFFFAOYSA-N
Compound name
2-chloro-1-(5-methyloxolan-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.04475 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.05203 133.1
[M+Na]+ 185.03397 141.0
[M-H]- 161.03747 137.0
[M+NH4]+ 180.07857 155.2
[M+K]+ 201.00791 139.8
[M+H-H2O]+ 145.04201 129.3
[M+HCOO]- 207.04295 150.2
[M+CH3COO]- 221.05860 175.1
[M+Na-2H]- 183.01942 136.7
[M]+ 162.04420 134.4
[M]- 162.04530 134.4
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.