CID 130428339

2,5-dibromo-3-fluorothiophene

Structural Information

Molecular Formula
C4HBr2FS
SMILES
C1=C(SC(=C1F)Br)Br
InChI
InChI=1S/C4HBr2FS/c5-3-1-2(7)4(6)8-3/h1H
InChIKey
COZAAGPTYBLGJV-UHFFFAOYSA-N
Compound name
2,5-dibromo-3-fluorothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

257.81497 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.82225 121.7
[M+Na]+ 280.80419 136.4
[M-H]- 256.80769 129.0
[M+NH4]+ 275.84879 144.9
[M+K]+ 296.77813 120.8
[M+H-H2O]+ 240.81223 130.6
[M+HCOO]- 302.81317 135.9
[M+CH3COO]- 316.82882 195.5
[M+Na-2H]- 278.78964 127.6
[M]+ 257.81442 156.3
[M]- 257.81552 156.3
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