CID 12284894

5-bromothiophene-3-carbaldehyde

Structural Information

Molecular Formula
C5H3BrOS
SMILES
C1=C(SC=C1C=O)Br
InChI
InChI=1S/C5H3BrOS/c6-5-1-4(2-7)3-8-5/h1-3H
InChIKey
ZKLBPUYMTHPNOQ-UHFFFAOYSA-N
Compound name
5-bromothiophene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

418
Patents

189.9088 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.916076 123.2
[M+Na]+ 212.898018 137.8
[M-H]- 188.901524 130.8
[M+NH4]+ 207.942623 149.2
[M+K]+ 228.871958 127.0
[M+H-H2O]+ 172.906060 124.8
[M+HCOO]- 234.907001 142.9
[M+CH3COO]- 248.922651 176.6
[M+Na-2H]- 210.883466 128.9
[M]+ 189.90825142 144.4
[M]- 189.90934858 144.4
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