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]+ 376.78523 132.3
[M+Na]+ 398.76717 126.7
[M-H]- 374.77067 121.6
[M+NH4]+ 393.81177 143.2
[M+K]+ 414.74111 134.7
[M+H-H2O]+ 358.77521 124.1
[M+HCOO]- 420.77615 136.2
[M+CH3COO]- 434.79180 199.7
[M+Na-2H]- 396.75262 119.6
[M]+ 375.77740 129.2
[M]- 375.77850 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