CID 84038358

Methyl 5-bromo-4-fluorothiophene-3-carboxylate

Structural Information

Molecular Formula
C6H4BrFO2S
SMILES
COC(=O)C1=CSC(=C1F)Br
InChI
InChI=1S/C6H4BrFO2S/c1-10-6(9)3-2-11-5(7)4(3)8/h2H,1H3
InChIKey
AYFFITPJIFIFNS-UHFFFAOYSA-N
Compound name
methyl 5-bromo-4-fluorothiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.90994 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.917216 134.0
[M+Na]+ 260.899158 148.4
[M-H]- 236.902664 140.4
[M+NH4]+ 255.943763 158.2
[M+K]+ 276.873098 137.7
[M+H-H2O]+ 220.907200 134.5
[M+HCOO]- 282.908141 151.5
[M+CH3COO]- 296.923791 184.9
[M+Na-2H]- 258.884606 137.0
[M]+ 237.90939142 155.4
[M]- 237.91048858 155.4
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.