CID 14786520

2-bromo-4-fluorothiophene

Structural Information

Molecular Formula
C4H2BrFS
SMILES
C1=C(SC=C1F)Br
InChI
InChI=1S/C4H2BrFS/c5-4-1-3(6)2-7-4/h1-2H
InChIKey
UWXVZGDRWPSION-UHFFFAOYSA-N
Compound name
2-bromo-4-fluorothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

179.90446 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.91174 119.6
[M+Na]+ 202.89368 134.5
[M-H]- 178.89718 126.1
[M+NH4]+ 197.93828 146.1
[M+K]+ 218.86762 123.8
[M+H-H2O]+ 162.90172 120.7
[M+HCOO]- 224.90266 138.3
[M+CH3COO]- 238.91831 175.4
[M+Na-2H]- 200.87913 125.2
[M]+ 179.90391 138.8
[M]- 179.90501 138.8
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