CID 13966915

5029-68-5

Structural Information

Molecular Formula
C4H3IO4
SMILES
C(=C(/C(=O)O)\I)\C(=O)O
InChI
InChI=1S/C4H3IO4/c5-2(4(8)9)1-3(6)7/h1H,(H,6,7)(H,8,9)/b2-1-
InChIKey
BAKGXNOIJUVCRJ-UPHRSURJSA-N
Compound name
(Z)-2-iodobut-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

241.90761 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.914886 137.2
[M+Na]+ 264.896828 137.2
[M-H]- 240.900334 128.6
[M+NH4]+ 259.941433 152.2
[M+K]+ 280.870768 142.5
[M+H-H2O]+ 224.904870 129.4
[M+HCOO]- 286.905811 151.9
[M+CH3COO]- 300.921461 175.4
[M+Na-2H]- 262.882276 127.5
[M]+ 241.90706142 133.1
[M]- 241.90815858 133.1
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