CID 69368

2,5-diiodothiophene

Structural Information

Molecular Formula
C4H2I2S
SMILES
C1=C(SC(=C1)I)I
InChI
InChI=1S/C4H2I2S/c5-3-1-2-4(6)7-3/h1-2H
InChIKey
PNYWRAHWEIOAGK-UHFFFAOYSA-N
Compound name
2,5-diiodothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

293
Patents

335.79666 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.80394 131.9
[M+Na]+ 358.78588 127.5
[M-H]- 334.78938 124.5
[M+NH4]+ 353.83048 145.0
[M+K]+ 374.75982 137.3
[M+H-H2O]+ 318.79392 121.7
[M+HCOO]- 380.79486 142.1
[M+CH3COO]- 394.81051 193.1
[M+Na-2H]- 356.77133 118.2
[M]+ 335.79611 128.7
[M]- 335.79721 128.7
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