CID 9855518

4-(chloromethyl)-5-methyl-1,3-dioxol-2-one

Structural Information

Molecular Formula
C5H5ClO3
SMILES
CC1=C(OC(=O)O1)CCl
InChI
InChI=1S/C5H5ClO3/c1-3-4(2-6)9-5(7)8-3/h2H2,1H3
InChIKey
QCLFSYYUWPUWQR-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-5-methyl-1,3-dioxol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1336
Patents

147.99272 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.00000 122.0
[M+Na]+ 170.98194 133.9
[M-H]- 146.98544 127.9
[M+NH4]+ 166.02654 143.9
[M+K]+ 186.95588 133.8
[M+H-H2O]+ 130.98998 118.8
[M+HCOO]- 192.99092 142.9
[M+CH3COO]- 207.00657 170.9
[M+Na-2H]- 168.96739 130.2
[M]+ 147.99217 128.5
[M]- 147.99327 128.5
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