CID 63812905

(1r)-1-[4-(phenylsulfanyl)phenyl]ethan-1-ol

Structural Information

Molecular Formula
C14H14OS
SMILES
C[C@H](C1=CC=C(C=C1)SC2=CC=CC=C2)O
InChI
InChI=1S/C14H14OS/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-11,15H,1H3/t11-/m1/s1
InChIKey
RCHMPJXXFCFXTH-LLVKDONJSA-N
Compound name
(1R)-1-(4-phenylsulfanylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.07654 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.08382 149.5
[M+Na]+ 253.06576 156.8
[M-H]- 229.06926 155.1
[M+NH4]+ 248.11036 167.3
[M+K]+ 269.03970 152.0
[M+H-H2O]+ 213.07380 142.9
[M+HCOO]- 275.07474 166.6
[M+CH3COO]- 289.09039 187.2
[M+Na-2H]- 251.05121 152.4
[M]+ 230.07599 150.2
[M]- 230.07709 150.2
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.