CID 6420224

34450-60-7

Structural Information

Molecular Formula
C4H5IO2
SMILES
C/C(=C/C(=O)O)/I
InChI
InChI=1S/C4H5IO2/c1-3(5)2-4(6)7/h2H,1H3,(H,6,7)/b3-2-
InChIKey
CSDFWNXJFJAWAM-IHWYPQMZSA-N
Compound name
(Z)-3-iodobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

211.93343 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.94071 129.7
[M+Na]+ 234.92265 130.2
[M-H]- 210.92615 122.4
[M+NH4]+ 229.96725 146.9
[M+K]+ 250.89659 135.6
[M+H-H2O]+ 194.93069 122.2
[M+HCOO]- 256.93163 146.2
[M+CH3COO]- 270.94728 173.9
[M+Na-2H]- 232.90810 122.0
[M]+ 211.93288 126.1
[M]- 211.93398 126.1
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

patents stripe