CID 75727

2-(chloromethyl)-1,3-dioxolane

Structural Information

Molecular Formula
C4H7ClO2
SMILES
C1COC(O1)CCl
InChI
InChI=1S/C4H7ClO2/c5-3-4-6-1-2-7-4/h4H,1-3H2
InChIKey
IKZOMJGRWIOEDP-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

415
Patents

122.01346 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.020736 120.6
[M+Na]+ 145.002678 128.6
[M-H]- 121.006184 125.0
[M+NH4]+ 140.047283 142.7
[M+K]+ 160.976618 129.4
[M+H-H2O]+ 105.010720 117.0
[M+HCOO]- 167.011661 138.4
[M+CH3COO]- 181.027311 165.1
[M+Na-2H]- 142.988126 128.6
[M]+ 122.01291142 122.2
[M]- 122.01400858 122.2
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