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

404
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 123.2
[M+Na]+ 212.89802 137.8
[M-H]- 188.90152 130.8
[M+NH4]+ 207.94262 149.2
[M+K]+ 228.87196 127.0
[M+H-H2O]+ 172.90606 124.8
[M+HCOO]- 234.90700 142.9
[M+CH3COO]- 248.92265 176.6
[M+Na-2H]- 210.88347 128.9
[M]+ 189.90825 144.4
[M]- 189.90935 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