CID 71757363

5-bromo-4-methoxythiophene-2-carboxylic acid

Structural Information

Molecular Formula
C6H5BrO3S
SMILES
COC1=C(SC(=C1)C(=O)O)Br
InChI
InChI=1S/C6H5BrO3S/c1-10-3-2-4(6(8)9)11-5(3)7/h2H,1H3,(H,8,9)
InChIKey
SSZYFNWEXXZETP-UHFFFAOYSA-N
Compound name
5-bromo-4-methoxythiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

235.91428 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.92156 134.1
[M+Na]+ 258.90350 135.3
[M+NH4]+ 253.94810 138.5
[M+K]+ 274.87744 137.2
[M-H]- 234.90700 133.0
[M+Na-2H]- 256.88895 135.2
[M]+ 235.91373 133.0
[M]- 235.91483 133.0
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