CID 20374

4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane

Structural Information

Molecular Formula
C6H11ClO2
SMILES
CC1(OCC(O1)CCl)C
InChI
InChI=1S/C6H11ClO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4H2,1-2H3
InChIKey
BNPOTXLWPZOESZ-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

749
Patents

150.04475 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.052026 127.0
[M+Na]+ 173.033968 136.0
[M-H]- 149.037474 131.9
[M+NH4]+ 168.078573 150.4
[M+K]+ 189.007908 136.4
[M+H-H2O]+ 133.042010 124.3
[M+HCOO]- 195.042951 144.2
[M+CH3COO]- 209.058601 171.8
[M+Na-2H]- 171.019416 134.6
[M]+ 150.04420142 130.0
[M]- 150.04529858 130.0
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