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

962
Patents

138.00838 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.015656 122.1
[M+Na]+ 160.997598 131.2
[M-H]- 137.001104 122.8
[M+NH4]+ 156.042203 144.9
[M+K]+ 176.971538 130.6
[M+H-H2O]+ 121.005640 118.9
[M+HCOO]- 183.006581 142.1
[M+CH3COO]- 197.022231 169.6
[M+Na-2H]- 158.983046 128.8
[M]+ 138.00783142 127.3
[M]- 138.00892858 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