CID 146487588

4-bromo-5-chloro-3-fluorothiophene-2-carboxylic acid

Structural Information

Molecular Formula
C5HBrClFO2S
SMILES
C1(=C(SC(=C1Br)Cl)C(=O)O)F
InChI
InChI=1S/C5HBrClFO2S/c6-1-2(8)3(5(9)10)11-4(1)7/h(H,9,10)
InChIKey
VCVZYQTYRSETJE-UHFFFAOYSA-N
Compound name
4-bromo-5-chloro-3-fluorothiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

257.85532 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.86260 133.9
[M+Na]+ 280.84454 149.7
[M-H]- 256.84804 139.4
[M+NH4]+ 275.88914 157.6
[M+K]+ 296.81848 136.4
[M+H-H2O]+ 240.85258 135.7
[M+HCOO]- 302.85352 145.9
[M+CH3COO]- 316.86917 184.9
[M+Na-2H]- 278.82999 136.1
[M]+ 257.85477 155.2
[M]- 257.85587 155.2
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