CID 3032704

19095-68-2

Structural Information

Molecular Formula
C4H5ClI2O
SMILES
C(/C(=C(/CCl)\I)/I)O
InChI
InChI=1S/C4H5ClI2O/c5-1-3(6)4(7)2-8/h8H,1-2H2/b4-3+
InChIKey
ZBQCIUJENCZZNS-ONEGZZNKSA-N
Compound name
(E)-4-chloro-2,3-diiodobut-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.81183 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.81911 136.6
[M+Na]+ 380.80105 130.0
[M-H]- 356.80455 125.1
[M+NH4]+ 375.84565 147.0
[M+K]+ 396.77499 139.2
[M+H-H2O]+ 340.80909 127.5
[M+HCOO]- 402.81003 143.1
[M+CH3COO]- 416.82568 195.4
[M+Na-2H]- 378.78650 123.1
[M]+ 357.81128 132.2
[M]- 357.81238 132.2
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

No patent data available for this compound.