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

2
Patents

148.02911 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.036386 127.6
[M+Na]+ 171.018328 136.1
[M-H]- 147.021834 128.0
[M+NH4]+ 166.062933 150.0
[M+K]+ 186.992268 134.0
[M+H-H2O]+ 131.026370 124.3
[M+HCOO]- 193.027311 146.9
[M+CH3COO]- 207.042961 172.7
[M+Na-2H]- 169.003776 133.2
[M]+ 148.02856142 131.4
[M]- 148.02965858 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

patents stripe