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 143.5
[M+Na]+ 286.96844 154.0
[M-H]- 262.97194 138.7
[M+NH4]+ 282.01304 160.6
[M+K]+ 302.94238 150.4
[M+H-H2O]+ 246.97648 133.3
[M+HCOO]- 308.97742 153.4
[M+CH3COO]- 322.99307 193.6
[M+Na-2H]- 284.95389 143.0
[M]+ 263.97867 136.4
[M]- 263.97977 136.4
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.