CID 643137

55831-56-6

Structural Information

Molecular Formula
C4H5ClO2
SMILES
C/C(=C/C(=O)O)/Cl
InChI
InChI=1S/C4H5ClO2/c1-3(5)2-4(6)7/h2H,1H3,(H,6,7)/b3-2-
InChIKey
XBOTUWGQYMHUFO-IHWYPQMZSA-N
Compound name
(Z)-3-chlorobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
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 119.5
[M+Na]+ 142.98703 130.2
[M+NH4]+ 138.03163 127.2
[M+K]+ 158.96097 125.7
[M-H]- 118.99053 117.8
[M+Na-2H]- 140.97248 122.9
[M]+ 119.99726 120.5
[M]- 119.99836 120.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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