CID 84189

2-ethoxyacetyl chloride

Structural Information

Molecular Formula
C4H7ClO2
SMILES
CCOCC(=O)Cl
InChI
InChI=1S/C4H7ClO2/c1-2-7-3-4(5)6/h2-3H2,1H3
InChIKey
ZPMWWAIBJJFPPQ-UHFFFAOYSA-N
Compound name
2-ethoxyacetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1514
Patents

122.01346 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.020736 119.1
[M+Na]+ 145.002678 128.1
[M-H]- 121.006184 119.8
[M+NH4]+ 140.047283 142.5
[M+K]+ 160.976618 127.0
[M+H-H2O]+ 105.010720 116.1
[M+HCOO]- 167.011661 138.8
[M+CH3COO]- 181.027311 169.0
[M+Na-2H]- 142.988126 125.8
[M]+ 122.01291142 123.0
[M]- 122.01400858 123.0
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