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

387
Patents

176.02959 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.036866 134.2
[M+Na]+ 199.018808 143.8
[M-H]- 175.022314 140.7
[M+NH4]+ 194.063413 156.4
[M+K]+ 214.992748 139.9
[M+H-H2O]+ 159.026850 129.0
[M+HCOO]- 221.027791 154.6
[M+CH3COO]- 235.043441 148.7
[M+Na-2H]- 197.004256 137.6
[M]+ 176.02904142 135.2
[M]- 176.03013858 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