CID 167714683

4-(bromomethyl)-3-(difluoromethyl)-1,2-thiazole

Structural Information

Molecular Formula
C5H4BrF2NS
SMILES
C1=C(C(=NS1)C(F)F)CBr
InChI
InChI=1S/C5H4BrF2NS/c6-1-3-2-10-9-4(3)5(7)8/h2,5H,1H2
InChIKey
BCWYPVDCWKOJHG-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-3-(difluoromethyl)-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.92159 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.92887 130.2
[M+Na]+ 249.91081 144.3
[M-H]- 225.91431 133.8
[M+NH4]+ 244.95541 153.5
[M+K]+ 265.88475 133.2
[M+H-H2O]+ 209.91885 129.3
[M+HCOO]- 271.91979 145.5
[M+CH3COO]- 285.93544 183.9
[M+Na-2H]- 247.89626 133.5
[M]+ 226.92104 148.5
[M]- 226.92214 148.5
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.