CID 72212374

2-(trifluoromethyl)-4h,5h,6h,7h-[1,3]thiazolo[5,4-c]pyridine hydrochloride

Structural Information

Molecular Formula
C7H7F3N2S
SMILES
C1CNCC2=C1N=C(S2)C(F)(F)F
InChI
InChI=1S/C7H7F3N2S/c8-7(9,10)6-12-4-1-2-11-3-5(4)13-6/h11H,1-3H2
InChIKey
XGUALGYMAJUNLG-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

208.0282 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.035476 137.7
[M+Na]+ 231.017418 147.0
[M-H]- 207.020924 134.4
[M+NH4]+ 226.062023 156.9
[M+K]+ 246.991358 143.0
[M+H-H2O]+ 191.025460 129.6
[M+HCOO]- 253.026401 147.0
[M+CH3COO]- 267.042051 179.0
[M+Na-2H]- 229.002866 140.2
[M]+ 208.02765142 131.9
[M]- 208.02874858 131.9
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