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

0
Patents

208.0282 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.03548 137.7
[M+Na]+ 231.01742 147.0
[M-H]- 207.02092 134.4
[M+NH4]+ 226.06202 156.9
[M+K]+ 246.99136 143.0
[M+H-H2O]+ 191.02546 129.6
[M+HCOO]- 253.02640 147.0
[M+CH3COO]- 267.04205 179.0
[M+Na-2H]- 229.00287 140.2
[M]+ 208.02765 131.9
[M]- 208.02875 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

No patent data available for this compound.