CID 14882403

4-bromo-5-chlorothiophene-2-carboxylic acid

Structural Information

Molecular Formula
C5H2BrClO2S
SMILES
C1=C(SC(=C1Br)Cl)C(=O)O
InChI
InChI=1S/C5H2BrClO2S/c6-2-1-3(5(8)9)10-4(2)7/h1H,(H,8,9)
InChIKey
CFVLYODPDQGKTF-UHFFFAOYSA-N
Compound name
4-bromo-5-chlorothiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

239.86475 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.87203 132.1
[M+Na]+ 262.85397 147.3
[M-H]- 238.85747 138.7
[M+NH4]+ 257.89857 156.4
[M+K]+ 278.82791 134.3
[M+H-H2O]+ 222.86201 134.7
[M+HCOO]- 284.86295 145.2
[M+CH3COO]- 298.87860 181.4
[M+Na-2H]- 260.83942 135.5
[M]+ 239.86420 154.1
[M]- 239.86530 154.1
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