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]+ 259.07872 155.8
[M+Na]+ 281.06066 164.7
[M-H]- 257.06416 161.5
[M+NH4]+ 276.10526 175.2
[M+K]+ 297.03460 159.0
[M+H-H2O]+ 241.06870 150.5
[M+HCOO]- 303.06964 171.7
[M+CH3COO]- 317.08529 168.0
[M+Na-2H]- 279.04611 157.5
[M]+ 258.07089 156.5
[M]- 258.07199 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.