CID 7751

Ethyl chloroacetate

Structural Information

Molecular Formula
C4H7ClO2
SMILES
CCOC(=O)CCl
InChI
InChI=1S/C4H7ClO2/c1-2-7-4(6)3-5/h2-3H2,1H3
InChIKey
VEUUMBGHMNQHGO-UHFFFAOYSA-N
Compound name
ethyl 2-chloroacetate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

47
References

12071
Patents

122.01346 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.02074 119.2
[M+Na]+ 145.00268 130.7
[M+NH4]+ 140.04728 127.7
[M+K]+ 160.97662 125.3
[M-H]- 121.00618 118.5
[M+Na-2H]- 142.98813 123.7
[M]+ 122.01291 120.7
[M]- 122.01401 120.7
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