CID 3014361

5-iodo-2-thiophenecarboxaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

237.89493 Da
Monoisotopic Mass

2.1
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

literature stripe

Patent stripe

patents stripe