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

316
Patents

138.00838 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.015656 121.9
[M+Na]+ 160.997598 130.8
[M-H]- 137.001104 122.8
[M+NH4]+ 156.042203 144.8
[M+K]+ 176.971538 130.7
[M+H-H2O]+ 121.005640 118.9
[M+HCOO]- 183.006581 141.0
[M+CH3COO]- 197.022231 170.4
[M+Na-2H]- 158.983046 127.4
[M]+ 138.00783142 126.6
[M]- 138.00892858 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