CID 457212

2,3-dihydro-2-(2-hydroxyphenyl)benzo(b)thiophene-3-methanol

Structural Information

Molecular Formula
C15H14O2S
SMILES
C1=CC=C2C(=C1)C(C(S2)C3=CC=CC=C3O)CO
InChI
InChI=1S/C15H14O2S/c16-9-12-10-5-2-4-8-14(10)18-15(12)11-6-1-3-7-13(11)17/h1-8,12,15-17H,9H2
InChIKey
YNLMGNLRJHQQEF-UHFFFAOYSA-N
Compound name
2-[3-(hydroxymethyl)-2,3-dihydro-1-benzothiophen-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.07144 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.078716 155.8
[M+Na]+ 281.060658 164.7
[M-H]- 257.064164 161.5
[M+NH4]+ 276.105263 175.2
[M+K]+ 297.034598 159.0
[M+H-H2O]+ 241.068700 150.5
[M+HCOO]- 303.069641 171.7
[M+CH3COO]- 317.085291 168.0
[M+Na-2H]- 279.046106 157.5
[M]+ 258.07089142 156.5
[M]- 258.07198858 156.5
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

No patent data available for this compound.