CID 10909724

Ethyl 4-chlorocrotonate

Structural Information

Molecular Formula
C6H9ClO2
SMILES
CCOC(=O)/C=C/CCl
InChI
InChI=1S/C6H9ClO2/c1-2-9-6(8)4-3-5-7/h3-4H,2,5H2,1H3/b4-3+
InChIKey
JJZUTSOGYBJOOF-ONEGZZNKSA-N
Compound name
ethyl (E)-4-chlorobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 138.9
[M+NH4]+ 166.06293 135.5
[M+K]+ 186.99227 132.8
[M-H]- 147.02183 126.6
[M+Na-2H]- 169.00378 131.5
[M]+ 148.02856 129.0
[M]- 148.02966 129.0
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