CID 12682368

[2-(phenylsulfanyl)phenyl]methanol

Structural Information

Molecular Formula
C13H12OS
SMILES
C1=CC=C(C=C1)SC2=CC=CC=C2CO
InChI
InChI=1S/C13H12OS/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9,14H,10H2
InChIKey
FGJNSZRGWUMNNR-UHFFFAOYSA-N
Compound name
(2-phenylsulfanylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

216.06088 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06816 144.7
[M+Na]+ 239.05010 152.8
[M-H]- 215.05360 150.5
[M+NH4]+ 234.09470 163.2
[M+K]+ 255.02404 147.8
[M+H-H2O]+ 199.05814 138.3
[M+HCOO]- 261.05908 163.2
[M+CH3COO]- 275.07473 157.6
[M+Na-2H]- 237.03555 149.2
[M]+ 216.06033 145.7
[M]- 216.06143 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe