CID 13506641

1-chloroethyl methyl carbonate

Structural Information

Molecular Formula
C4H7ClO3
SMILES
CC(OC(=O)OC)Cl
InChI
InChI=1S/C4H7ClO3/c1-3(5)8-4(6)7-2/h3H,1-2H3
InChIKey
CERXDWLUWLFFEK-UHFFFAOYSA-N
Compound name
1-chloroethyl methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

337
Patents

138.00838 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.01566 121.9
[M+Na]+ 160.99760 130.8
[M-H]- 137.00110 122.8
[M+NH4]+ 156.04220 144.8
[M+K]+ 176.97154 130.7
[M+H-H2O]+ 121.00564 118.9
[M+HCOO]- 183.00658 141.0
[M+CH3COO]- 197.02223 170.4
[M+Na-2H]- 158.98305 127.4
[M]+ 138.00783 126.6
[M]- 138.00893 126.6
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