CID 119087957

4-iodothiophene-3-carbonitrile

Structural Information

Molecular Formula
C5H2INS
SMILES
C1=C(C(=CS1)I)C#N
InChI
InChI=1S/C5H2INS/c6-5-3-8-2-4(5)1-7/h2-3H
InChIKey
QZUQKKCVNSIRTF-UHFFFAOYSA-N
Compound name
4-iodothiophene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.89526 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.90254 135.9
[M+Na]+ 257.88448 141.9
[M-H]- 233.88798 134.5
[M+NH4]+ 252.92908 153.8
[M+K]+ 273.85842 144.4
[M+H-H2O]+ 217.89252 121.9
[M+HCOO]- 279.89346 149.2
[M+CH3COO]- 293.90911 190.1
[M+Na-2H]- 255.86993 128.3
[M]+ 234.89471 130.8
[M]- 234.89581 130.8
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.