CID 20393231

2-chlorobut-3-enoic acid

Structural Information

Molecular Formula
C4H5ClO2
SMILES
C=CC(C(=O)O)Cl
InChI
InChI=1S/C4H5ClO2/c1-2-3(5)4(6)7/h2-3H,1H2,(H,6,7)
InChIKey
JQEARNLFCSAAPV-UHFFFAOYSA-N
Compound name
2-chlorobut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

703
Patents

119.99781 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.00509 118.5
[M+Na]+ 142.98703 127.0
[M-H]- 118.99053 117.8
[M+NH4]+ 138.03163 141.0
[M+K]+ 158.96097 124.8
[M+H-H2O]+ 102.99507 115.9
[M+HCOO]- 164.99601 135.9
[M+CH3COO]- 179.01166 166.1
[M+Na-2H]- 140.97248 123.4
[M]+ 119.99726 119.1
[M]- 119.99836 119.1
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