CID 130019284

1257329-76-2

Structural Information

Molecular Formula
C5H3F5N2S
SMILES
C1=C(SC(=N1)N)C(C(F)(F)F)(F)F
InChI
InChI=1S/C5H3F5N2S/c6-4(7,5(8,9)10)2-1-12-3(11)13-2/h1H,(H2,11,12)
InChIKey
SQJKZMLBJBUJKN-UHFFFAOYSA-N
Compound name
5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

217.99371 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.00099 134.5
[M+Na]+ 240.98293 144.7
[M-H]- 216.98643 130.7
[M+NH4]+ 236.02753 153.5
[M+K]+ 256.95687 141.4
[M+H-H2O]+ 200.99097 125.0
[M+HCOO]- 262.99191 146.4
[M+CH3COO]- 277.00756 185.3
[M+Na-2H]- 238.96838 136.4
[M]+ 217.99316 127.9
[M]- 217.99426 127.9
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

patents stripe