CID 3564197

4-thiophen-2-ylphenol

Structural Information

Molecular Formula
C10H8OS
SMILES
C1=CSC(=C1)C2=CC=C(C=C2)O
InChI
InChI=1S/C10H8OS/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7,11H
InChIKey
RUZWJMSQCFYNAM-UHFFFAOYSA-N
Compound name
4-thiophen-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

376
Patents

176.02959 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.03687 134.2
[M+Na]+ 199.01881 143.8
[M-H]- 175.02231 140.7
[M+NH4]+ 194.06341 156.4
[M+K]+ 214.99275 139.9
[M+H-H2O]+ 159.02685 129.0
[M+HCOO]- 221.02779 154.6
[M+CH3COO]- 235.04344 148.7
[M+Na-2H]- 197.00426 137.6
[M]+ 176.02904 135.2
[M]- 176.03014 135.2
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

patents stripe