CID 14787050

Chloromethyl methyl carbonate

Structural Information

Molecular Formula
C3H5ClO3
SMILES
COC(=O)OCCl
InChI
InChI=1S/C3H5ClO3/c1-6-3(5)7-2-4/h2H2,1H3
InChIKey
MFSHZGFPADYOTO-UHFFFAOYSA-N
Compound name
chloromethyl methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

923
Patents

123.99272 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.00000 117.3
[M+Na]+ 146.98194 126.8
[M-H]- 122.98544 118.3
[M+NH4]+ 142.02654 140.7
[M+K]+ 162.95588 126.5
[M+H-H2O]+ 106.98998 114.4
[M+HCOO]- 168.99092 137.7
[M+CH3COO]- 183.00657 166.6
[M+Na-2H]- 144.96739 124.6
[M]+ 123.99217 122.2
[M]- 123.99327 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