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]+ 238.91722 134.0
[M+Na]+ 260.89916 148.4
[M-H]- 236.90266 140.4
[M+NH4]+ 255.94376 158.2
[M+K]+ 276.87310 137.7
[M+H-H2O]+ 220.90720 134.5
[M+HCOO]- 282.90814 151.5
[M+CH3COO]- 296.92379 184.9
[M+Na-2H]- 258.88461 137.0
[M]+ 237.90939 155.4
[M]- 237.91049 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.