CID 71651700

2-bromo-4-(difluoromethyl)thiophene

Structural Information

Molecular Formula
C5H3BrF2S
SMILES
C1=C(SC=C1C(F)F)Br
InChI
InChI=1S/C5H3BrF2S/c6-4-1-3(2-9-4)5(7)8/h1-2,5H
InChIKey
KCSSVIYXNFPGRH-UHFFFAOYSA-N
Compound name
2-bromo-4-(difluoromethyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

211.91069 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.91797 128.3
[M+Na]+ 234.89991 142.3
[M-H]- 210.90341 133.3
[M+NH4]+ 229.94451 153.3
[M+K]+ 250.87385 131.3
[M+H-H2O]+ 194.90795 128.2
[M+HCOO]- 256.90889 144.6
[M+CH3COO]- 270.92454 181.5
[M+Na-2H]- 232.88536 131.6
[M]+ 211.91014 146.1
[M]- 211.91124 146.1
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