CID 137965719

5-bromo-4-chlorothiophene-3-carboxylic acid

Structural Information

Molecular Formula
C5H2BrClO2S
SMILES
C1=C(C(=C(S1)Br)Cl)C(=O)O
InChI
InChI=1S/C5H2BrClO2S/c6-4-3(7)2(1-10-4)5(8)9/h1H,(H,8,9)
InChIKey
VBYYSQWTPZHGLT-UHFFFAOYSA-N
Compound name
5-bromo-4-chlorothiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.86475 Da
Monoisotopic Mass

2.8
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.