CID 12992128

2-propan-2-ylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine

Structural Information

Molecular Formula
C10H12F3NOS
SMILES
CC(C)SC1=C(C=CC=N1)OCC(F)(F)F
InChI
InChI=1S/C10H12F3NOS/c1-7(2)16-9-8(4-3-5-14-9)15-6-10(11,12)13/h3-5,7H,6H2,1-2H3
InChIKey
FGENXPNYGNZCEB-UHFFFAOYSA-N
Compound name
2-propan-2-ylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

251.05917 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.06645 149.8
[M+Na]+ 274.04839 158.0
[M-H]- 250.05189 148.2
[M+NH4]+ 269.09299 166.3
[M+K]+ 290.02233 154.9
[M+H-H2O]+ 234.05643 140.6
[M+HCOO]- 296.05737 161.9
[M+CH3COO]- 310.07302 192.7
[M+Na-2H]- 272.03384 151.2
[M]+ 251.05862 149.9
[M]- 251.05972 149.9
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