CID 15080669

4-(pyridin-4-ylsulfanyl)phenol

Structural Information

Molecular Formula
C11H9NOS
SMILES
C1=CC(=CC=C1O)SC2=CC=NC=C2
InChI
InChI=1S/C11H9NOS/c13-9-1-3-10(4-2-9)14-11-5-7-12-8-6-11/h1-8,13H
InChIKey
LDMGNZJMTUYLQH-UHFFFAOYSA-N
Compound name
4-pyridin-4-ylsulfanylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

203.04048 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.04776 140.1
[M+Na]+ 226.02970 149.1
[M-H]- 202.03320 144.7
[M+NH4]+ 221.07430 157.8
[M+K]+ 242.00364 144.3
[M+H-H2O]+ 186.03774 133.1
[M+HCOO]- 248.03868 157.9
[M+CH3COO]- 262.05433 153.0
[M+Na-2H]- 224.01515 145.6
[M]+ 203.03993 140.8
[M]- 203.04103 140.8
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