CID 129532331

2-bromo-3-(difluoromethyl)thiophene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

211.91069 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.917966 128.3
[M+Na]+ 234.899908 142.3
[M-H]- 210.903414 133.3
[M+NH4]+ 229.944513 153.3
[M+K]+ 250.873848 131.3
[M+H-H2O]+ 194.907950 128.2
[M+HCOO]- 256.908891 144.6
[M+CH3COO]- 270.924541 181.5
[M+Na-2H]- 232.885356 131.6
[M]+ 211.91014142 146.1
[M]- 211.91123858 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