CID 111000

2-(2-chloroethyl)-4-methyl-1,3-dioxolane

Structural Information

Molecular Formula
C6H11ClO2
SMILES
CC1COC(O1)CCCl
InChI
InChI=1S/C6H11ClO2/c1-5-4-8-6(9-5)2-3-7/h5-6H,2-4H2,1H3
InChIKey
LMKBJXAPLYHFGC-UHFFFAOYSA-N
Compound name
2-(2-chloroethyl)-4-methyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

150.04475 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.052026 129.9
[M+Na]+ 173.033968 138.0
[M-H]- 149.037474 134.3
[M+NH4]+ 168.078573 151.2
[M+K]+ 189.007908 138.2
[M+H-H2O]+ 133.042010 126.1
[M+HCOO]- 195.042951 146.9
[M+CH3COO]- 209.058601 172.2
[M+Na-2H]- 171.019416 136.0
[M]+ 150.04420142 132.6
[M]- 150.04529858 132.6
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

patents stripe