CID 165978690

2-bromo-4-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole

Structural Information

Molecular Formula
C7H5BrF3NS
SMILES
C1CC1(C2=CSC(=N2)Br)C(F)(F)F
InChI
InChI=1S/C7H5BrF3NS/c8-5-12-4(3-13-5)6(1-2-6)7(9,10)11/h3H,1-2H2
InChIKey
BIEWIKPFSWPCND-UHFFFAOYSA-N
Compound name
2-bromo-4-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.92783 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.93511 150.0
[M+Na]+ 293.91705 151.1
[M+NH4]+ 288.96165 154.8
[M+K]+ 309.89099 151.4
[M-H]- 269.92055 152.2
[M+Na-2H]- 291.90250 154.2
[M]+ 270.92728 150.9
[M]- 270.92838 150.9
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.