CID 137701497

1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethan-1-one

Structural Information

Molecular Formula
C6H2F6N2OS
SMILES
C1(=C(N=C(S1)N)C(F)(F)F)C(=O)C(F)(F)F
InChI
InChI=1S/C6H2F6N2OS/c7-5(8,9)2-1(16-4(13)14-2)3(15)6(10,11)12/h(H2,13,14)
InChIKey
XGWSAHLJGZNHFT-UHFFFAOYSA-N
Compound name
1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.97922 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.98650 166.1
[M+Na]+ 286.96844 168.8
[M+NH4]+ 282.01304 167.6
[M+K]+ 302.94238 166.3
[M-H]- 262.97194 158.4
[M+Na-2H]- 284.95389 164.6
[M]+ 263.97867 164.0
[M]- 263.97977 164.0
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

No patent data available for this compound.