CID 4130344

2-(thiophen-3-yl)phenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

176.02959 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.03687 134.7
[M+Na]+ 199.01881 148.3
[M+NH4]+ 194.06341 145.2
[M+K]+ 214.99275 140.7
[M-H]- 175.02231 139.3
[M+Na-2H]- 197.00426 143.4
[M]+ 176.02904 138.5
[M]- 176.03014 138.5
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