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

2493
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

literature stripe

Patent stripe

patents stripe