CID 2318066

2-(2-amino-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

Structural Information

Molecular Formula
C6H4F6N2OS
SMILES
C1=C(SC(=N1)N)C(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C6H4F6N2OS/c7-5(8,9)4(15,6(10,11)12)2-1-14-3(13)16-2/h1,15H,(H2,13,14)
InChIKey
UMAOHXPHVQUDRE-UHFFFAOYSA-N
Compound name
2-(2-amino-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

35
Patents

265.99484 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.00212 145.2
[M+Na]+ 288.98406 154.7
[M-H]- 264.98756 138.7
[M+NH4]+ 284.02866 161.3
[M+K]+ 304.95800 150.8
[M+H-H2O]+ 248.99210 135.3
[M+HCOO]- 310.99304 152.9
[M+CH3COO]- 325.00869 190.6
[M+Na-2H]- 286.96951 147.1
[M]+ 265.99429 136.5
[M]- 265.99539 136.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe