CID 21766885

4-iodothiophene-2-carbaldehyde

Structural Information

Molecular Formula
C5H3IOS
SMILES
C1=C(SC=C1I)C=O
InChI
InChI=1S/C5H3IOS/c6-4-1-5(2-7)8-3-4/h1-3H
InChIKey
JZOKISLKNLACDI-UHFFFAOYSA-N
Compound name
4-iodothiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

237.89493 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.90221 131.1
[M+Na]+ 260.88415 134.4
[M-H]- 236.88765 128.8
[M+NH4]+ 255.92875 150.6
[M+K]+ 276.85809 138.3
[M+H-H2O]+ 220.89219 123.0
[M+HCOO]- 282.89313 147.6
[M+CH3COO]- 296.90878 177.7
[M+Na-2H]- 258.86960 122.4
[M]+ 237.89438 131.1
[M]- 237.89548 131.1
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