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
6
Annotation Hits

47
References

15348
Patents

122.01346 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.020736 119.3
[M+Na]+ 145.002678 128.3
[M-H]- 121.006184 120.0
[M+NH4]+ 140.047283 142.8
[M+K]+ 160.976618 127.3
[M+H-H2O]+ 105.010720 116.4
[M+HCOO]- 167.011661 139.1
[M+CH3COO]- 181.027311 168.3
[M+Na-2H]- 142.988126 126.0
[M]+ 122.01291142 123.1
[M]- 122.01400858 123.1
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