CID 84792020

4-bromo-2-(1,1-difluoroethyl)-1,3-thiazole

Structural Information

Molecular Formula
C5H4BrF2NS
SMILES
CC(C1=NC(=CS1)Br)(F)F
InChI
InChI=1S/C5H4BrF2NS/c1-5(7,8)4-9-3(6)2-10-4/h2H,1H3
InChIKey
XPTHWXHFQQYSKU-UHFFFAOYSA-N
Compound name
4-bromo-2-(1,1-difluoroethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

226.92159 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.928866 131.6
[M+Na]+ 249.910808 146.3
[M-H]- 225.914314 135.4
[M+NH4]+ 244.955413 155.0
[M+K]+ 265.884748 135.2
[M+H-H2O]+ 209.918850 131.2
[M+HCOO]- 271.919791 146.4
[M+CH3COO]- 285.935441 183.4
[M+Na-2H]- 247.896256 136.5
[M]+ 226.92104142 150.0
[M]- 226.92213858 150.0
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