CID 165989679

5-bromo-3-iodothiophene-2-carbaldehyde

Structural Information

Molecular Formula
C5H2BrIOS
SMILES
C1=C(SC(=C1I)C=O)Br
InChI
InChI=1S/C5H2BrIOS/c6-5-1-3(7)4(2-8)9-5/h1-2H
InChIKey
ATJNENSHZDFVRN-UHFFFAOYSA-N
Compound name
5-bromo-3-iodothiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.80545 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.81273 136.1
[M+Na]+ 338.79467 144.1
[M-H]- 314.79817 137.1
[M+NH4]+ 333.83927 156.5
[M+K]+ 354.76861 138.9
[M+H-H2O]+ 298.80271 133.9
[M+HCOO]- 360.80365 150.8
[M+CH3COO]- 374.81930 188.5
[M+Na-2H]- 336.78012 129.5
[M]+ 315.80490 154.0
[M]- 315.80600 154.0
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.