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

341
Patents

189.9088 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.91608 123.5
[M+Na]+ 212.89802 126.3
[M+NH4]+ 207.94262 129.6
[M+K]+ 228.87196 126.4
[M-H]- 188.90152 124.1
[M+Na-2H]- 210.88347 126.7
[M]+ 189.90825 123.2
[M]- 189.90935 123.2
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