CID 5325479

Chloromethyl ethyl carbonate

Structural Information

Molecular Formula
C4H7ClO3
SMILES
CCOC(=O)OCCl
InChI
InChI=1S/C4H7ClO3/c1-2-7-4(6)8-3-5/h2-3H2,1H3
InChIKey
RTFGZMKXMSDULM-UHFFFAOYSA-N
Compound name
chloromethyl ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

910
Patents

138.00838 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.01566 122.1
[M+Na]+ 160.99760 131.2
[M-H]- 137.00110 122.8
[M+NH4]+ 156.04220 144.9
[M+K]+ 176.97154 130.6
[M+H-H2O]+ 121.00564 118.9
[M+HCOO]- 183.00658 142.1
[M+CH3COO]- 197.02223 169.6
[M+Na-2H]- 158.98305 128.8
[M]+ 138.00783 127.3
[M]- 138.00893 127.3
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