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]+ 235.902536 135.9
[M+Na]+ 257.884478 141.9
[M-H]- 233.887984 134.5
[M+NH4]+ 252.929083 153.8
[M+K]+ 273.858418 144.4
[M+H-H2O]+ 217.892520 121.9
[M+HCOO]- 279.893461 149.2
[M+CH3COO]- 293.909111 190.1
[M+Na-2H]- 255.869926 128.3
[M]+ 234.89471142 130.8
[M]- 234.89580858 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.