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]+ 227.928866 130.2
[M+Na]+ 249.910808 144.3
[M-H]- 225.914314 133.8
[M+NH4]+ 244.955413 153.5
[M+K]+ 265.884748 133.2
[M+H-H2O]+ 209.918850 129.3
[M+HCOO]- 271.919791 145.5
[M+CH3COO]- 285.935441 183.9
[M+Na-2H]- 247.896256 133.5
[M]+ 226.92104142 148.5
[M]- 226.92213858 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.