CID 138422

Methyl (2z)-3-chloroprop-2-enoate

Structural Information

Molecular Formula
C4H5ClO2
SMILES
COC(=O)C=CCl
InChI
InChI=1S/C4H5ClO2/c1-7-4(6)2-3-5/h2-3H,1H3
InChIKey
ZLDNFLVIPPOXQL-UHFFFAOYSA-N
Compound name
methyl 3-chloroprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

257
Patents

119.99781 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.00509 118.1
[M+Na]+ 142.98703 127.5
[M-H]- 118.99053 118.9
[M+NH4]+ 138.03163 141.6
[M+K]+ 158.96097 125.8
[M+H-H2O]+ 102.99507 115.2
[M+HCOO]- 164.99601 138.0
[M+CH3COO]- 179.01166 166.6
[M+Na-2H]- 140.97248 124.8
[M]+ 119.99726 121.1
[M]- 119.99836 121.1
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