CID 90135030

2-(chloromethyl)-6-(trifluoromethyl)thiazolo[5,4-b]pyridine

Structural Information

Molecular Formula
C8H4ClF3N2S
SMILES
C1=C(C=NC2=C1N=C(S2)CCl)C(F)(F)F
InChI
InChI=1S/C8H4ClF3N2S/c9-2-6-14-5-1-4(8(10,11)12)3-13-7(5)15-6/h1,3H,2H2
InChIKey
RGNNEZDCCZAVSQ-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

251.97359 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.98087 147.2
[M+Na]+ 274.96281 158.3
[M+NH4]+ 270.00741 154.1
[M+K]+ 290.93675 152.0
[M-H]- 250.96631 144.3
[M+Na-2H]- 272.94826 151.6
[M]+ 251.97304 148.5
[M]- 251.97414 148.5
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