CID 87792

18791-75-8

Structural Information

Molecular Formula
C5H3BrOS
SMILES
C1=C(SC=C1Br)C=O
InChI
InChI=1S/C5H3BrOS/c6-4-1-5(2-7)8-3-4/h1-3H
InChIKey
PDONIKHDXYHTLS-UHFFFAOYSA-N
Compound name
4-bromothiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2194
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

literature stripe

Patent stripe

patents stripe