CID 457216

2,3-dihydro-2-phenylbenzo(b)thiophene-3-methanol

Structural Information

Molecular Formula
C15H14OS
SMILES
C1=CC=C(C=C1)C2C(C3=CC=CC=C3S2)CO
InChI
InChI=1S/C15H14OS/c16-10-13-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-9,13,15-16H,10H2
InChIKey
SDOWBLWIPSGWAZ-UHFFFAOYSA-N
Compound name
(2-phenyl-2,3-dihydro-1-benzothiophen-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.07654 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08382 152.0
[M+Na]+ 265.06576 166.1
[M+NH4]+ 260.11036 163.0
[M+K]+ 281.03970 157.3
[M-H]- 241.06926 157.5
[M+Na-2H]- 263.05121 160.0
[M]+ 242.07599 156.2
[M]- 242.07709 156.2
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.