CID 71354151

Ethyl 4-chlorobut-2-enoate

Structural Information

Molecular Formula
C6H9ClO2
SMILES
CCOC(=O)C=CCCl
InChI
InChI=1S/C6H9ClO2/c1-2-9-6(8)4-3-5-7/h3-4H,2,5H2,1H3
InChIKey
JJZUTSOGYBJOOF-UHFFFAOYSA-N
Compound name
ethyl 4-chlorobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.02911 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.03639 127.6
[M+Na]+ 171.01833 136.1
[M-H]- 147.02183 128.0
[M+NH4]+ 166.06293 150.0
[M+K]+ 186.99227 134.0
[M+H-H2O]+ 131.02637 124.3
[M+HCOO]- 193.02731 146.9
[M+CH3COO]- 207.04296 172.7
[M+Na-2H]- 169.00378 133.2
[M]+ 148.02856 131.4
[M]- 148.02966 131.4
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

No patent data available for this compound.