CID 155820209

1314011-84-1

Structural Information

Molecular Formula
C16H14FNO2S
SMILES
CC(C)(C1=C(C=CC=C1F)OC2=CN=C3C(=C2)C=CS3)O
InChI
InChI=1S/C16H14FNO2S/c1-16(2,19)14-12(17)4-3-5-13(14)20-11-8-10-6-7-21-15(10)18-9-11/h3-9,19H,1-2H3
InChIKey
JRTOHCVMUAVEEP-UHFFFAOYSA-N
Compound name
2-(2-fluoro-6-thieno[2,3-b]pyridin-5-yloxyphenyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.07294 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.08022 167.4
[M+Na]+ 326.06216 178.7
[M-H]- 302.06566 172.5
[M+NH4]+ 321.10676 184.5
[M+K]+ 342.03610 173.1
[M+H-H2O]+ 286.07020 160.2
[M+HCOO]- 348.07114 183.3
[M+CH3COO]- 362.08679 179.6
[M+Na-2H]- 324.04761 170.8
[M]+ 303.07239 172.0
[M]- 303.07349 172.0
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.