CID 4349993

[4-(benzylsulfanyl)phenyl]methanol

Structural Information

Molecular Formula
C14H14OS
SMILES
C1=CC=C(C=C1)CSC2=CC=C(C=C2)CO
InChI
InChI=1S/C14H14OS/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2
InChIKey
QRLABRQRPREVFF-UHFFFAOYSA-N
Compound name
(4-benzylsulfanylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

230.07654 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.08382 149.2
[M+Na]+ 253.06576 156.8
[M-H]- 229.06926 154.7
[M+NH4]+ 248.11036 167.1
[M+K]+ 269.03970 151.5
[M+H-H2O]+ 213.07380 142.5
[M+HCOO]- 275.07474 167.3
[M+CH3COO]- 289.09039 186.4
[M+Na-2H]- 251.05121 153.1
[M]+ 230.07599 150.5
[M]- 230.07709 150.5
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