CID 3032703

19095-67-1

Structural Information

Molecular Formula
C4H4Cl2I2
SMILES
C(/C(=C(/CCl)\I)/I)Cl
InChI
InChI=1S/C4H4Cl2I2/c5-1-3(7)4(8)2-6/h1-2H2/b4-3+
InChIKey
PZBBWINMCIRSAZ-ONEGZZNKSA-N
Compound name
(E)-1,4-dichloro-2,3-diiodobut-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

375.77795 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.785226 132.3
[M+Na]+ 398.767168 126.7
[M-H]- 374.770674 121.6
[M+NH4]+ 393.811773 143.2
[M+K]+ 414.741108 134.7
[M+H-H2O]+ 358.775210 124.1
[M+HCOO]- 420.776151 136.2
[M+CH3COO]- 434.791801 199.7
[M+Na-2H]- 396.752616 119.6
[M]+ 375.77740142 129.2
[M]- 375.77849858 129.2
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

patents stripe