CID 75525793

[4-(ethynylsulfanyl)phenyl]methanol

Structural Information

Molecular Formula
C9H8OS
SMILES
C#CSC1=CC=C(C=C1)CO
InChI
InChI=1S/C9H8OS/c1-2-11-9-5-3-8(7-10)4-6-9/h1,3-6,10H,7H2
InChIKey
RDDKZTZGQNMEQJ-UHFFFAOYSA-N
Compound name
(4-ethynylsulfanylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.02959 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.03687 136.7
[M+Na]+ 187.01881 147.8
[M-H]- 163.02231 138.8
[M+NH4]+ 182.06341 155.5
[M+K]+ 202.99275 143.3
[M+H-H2O]+ 147.02685 125.9
[M+HCOO]- 209.02779 149.6
[M+CH3COO]- 223.04344 182.9
[M+Na-2H]- 185.00426 139.6
[M]+ 164.02904 132.8
[M]- 164.03014 132.8
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

No patent data available for this compound.