CID 3564196

3-(thiophen-2-yl)phenol

Structural Information

Molecular Formula
C10H8OS
SMILES
C1=CC(=CC(=C1)O)C2=CC=CS2
InChI
InChI=1S/C10H8OS/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1-7,11H
InChIKey
JNRLPFAEBJQNQG-UHFFFAOYSA-N
Compound name
3-thiophen-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

50
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

literature stripe

Patent stripe

patents stripe