CID 137698669

1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2,2,2-trifluoroethan-1-one

Structural Information

Molecular Formula
C6H5F3N2OS
SMILES
CC1=C(SC(=N1)N)C(=O)C(F)(F)F
InChI
InChI=1S/C6H5F3N2OS/c1-2-3(13-5(10)11-2)4(12)6(7,8)9/h1H3,(H2,10,11)
InChIKey
BAAXCOUYFDTBRJ-UHFFFAOYSA-N
Compound name
1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2,2,2-trifluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.00746 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01474 145.1
[M+Na]+ 232.99668 151.4
[M+NH4]+ 228.04128 150.0
[M+K]+ 248.97062 148.1
[M-H]- 209.00018 140.8
[M+Na-2H]- 230.98213 146.3
[M]+ 210.00691 144.7
[M]- 210.00801 144.7
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.