CID 3564195

2-(thiophen-2-yl)phenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
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

literature stripe

Patent stripe

patents stripe