CID 126567426

4-bromo-5-iodothiophene-3-carboxylic acid

Structural Information

Molecular Formula
C5H2BrIO2S
SMILES
C1=C(C(=C(S1)I)Br)C(=O)O
InChI
InChI=1S/C5H2BrIO2S/c6-3-2(5(8)9)1-10-4(3)7/h1H,(H,8,9)
InChIKey
XHFASLQEXCVAMY-UHFFFAOYSA-N
Compound name
4-bromo-5-iodothiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

331.80035 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.807626 142.3
[M+Na]+ 354.789568 149.2
[M-H]- 330.793074 141.9
[M+NH4]+ 349.834173 161.2
[M+K]+ 370.763508 143.9
[M+H-H2O]+ 314.797610 139.9
[M+HCOO]- 376.798551 154.8
[M+CH3COO]- 390.814201 188.7
[M+Na-2H]- 352.775016 134.1
[M]+ 331.79980142 159.1
[M]- 331.80089858 159.1
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

patents stripe