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

270
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 119.3
[M+Na]+ 142.98703 130.0
[M+NH4]+ 138.03163 127.0
[M+K]+ 158.96097 125.6
[M-H]- 118.99053 117.6
[M+Na-2H]- 140.97248 122.7
[M]+ 119.99726 120.3
[M]- 119.99836 120.3
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