CID 86706808

5-bromo-2-formylthiophene-3-carboxylic acid

Structural Information

Molecular Formula
C6H3BrO3S
SMILES
C1=C(SC(=C1C(=O)O)C=O)Br
InChI
InChI=1S/C6H3BrO3S/c7-5-1-3(6(9)10)4(2-8)11-5/h1-2H,(H,9,10)
InChIKey
WZBAFVKLYDTWBZ-UHFFFAOYSA-N
Compound name
5-bromo-2-formylthiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

233.89864 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.90592 133.4
[M+Na]+ 256.88786 134.7
[M+NH4]+ 251.93246 137.6
[M+K]+ 272.86180 136.5
[M-H]- 232.89136 132.1
[M+Na-2H]- 254.87331 134.5
[M]+ 233.89809 132.2
[M]- 233.89919 132.2
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