CID 76850447

1266118-94-8

Structural Information

Molecular Formula
C7H4F3N3S
SMILES
C1=C2C(=CN=C1C(F)(F)F)N=C(S2)N
InChI
InChI=1S/C7H4F3N3S/c8-7(9,10)5-1-4-3(2-12-5)13-6(11)14-4/h1-2H,(H2,11,13)
InChIKey
NGENSIZADFVCDM-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

219.0078 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.015076 137.2
[M+Na]+ 241.997018 150.1
[M-H]- 218.000524 136.3
[M+NH4]+ 237.041623 156.7
[M+K]+ 257.970958 145.4
[M+H-H2O]+ 202.005060 128.8
[M+HCOO]- 264.006001 152.6
[M+CH3COO]- 278.021651 185.9
[M+Na-2H]- 239.982466 142.0
[M]+ 219.00725142 136.2
[M]- 219.00834858 136.2
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