CID 145875838

2138185-55-2

Structural Information

Molecular Formula
C8H9BrF3NS
SMILES
CC(C)CC1=NC(=C(S1)Br)C(F)(F)F
InChI
InChI=1S/C8H9BrF3NS/c1-4(2)3-5-13-6(7(9)14-5)8(10,11)12/h4H,3H2,1-2H3
InChIKey
XPRNLRFXEHICPB-UHFFFAOYSA-N
Compound name
5-bromo-2-(2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.9591 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.96638 148.3
[M+Na]+ 309.94832 162.3
[M-H]- 285.95182 150.7
[M+NH4]+ 304.99292 169.6
[M+K]+ 325.92226 150.3
[M+H-H2O]+ 269.95636 146.7
[M+HCOO]- 331.95730 160.1
[M+CH3COO]- 345.97295 195.6
[M+Na-2H]- 307.93377 149.5
[M]+ 286.95855 166.1
[M]- 286.95965 166.1
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

No patent data available for this compound.