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]+ 332.80763 142.3
[M+Na]+ 354.78957 149.2
[M-H]- 330.79307 141.9
[M+NH4]+ 349.83417 161.2
[M+K]+ 370.76351 143.9
[M+H-H2O]+ 314.79761 139.9
[M+HCOO]- 376.79855 154.8
[M+CH3COO]- 390.81420 188.7
[M+Na-2H]- 352.77502 134.1
[M]+ 331.79980 159.1
[M]- 331.80090 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