CID 105506161

2-bromo-5-methyl-4-(trifluoromethyl)thiazole

Structural Information

Molecular Formula
C5H3BrF3NS
SMILES
CC1=C(N=C(S1)Br)C(F)(F)F
InChI
InChI=1S/C5H3BrF3NS/c1-2-3(5(7,8)9)10-4(6)11-2/h1H3
InChIKey
WQTHIEPDYWLKOK-UHFFFAOYSA-N
Compound name
2-bromo-5-methyl-4-(trifluoromethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.91217 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.91945 134.3
[M+Na]+ 267.90139 149.9
[M-H]- 243.90489 137.2
[M+NH4]+ 262.94599 157.3
[M+K]+ 283.87533 138.3
[M+H-H2O]+ 227.90943 133.2
[M+HCOO]- 289.91037 148.1
[M+CH3COO]- 303.92602 186.5
[M+Na-2H]- 265.88684 138.1
[M]+ 244.91162 151.8
[M]- 244.91272 151.8
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.