CID 515181

2-phenoxathiin-2-ylpropan-2-ol

Structural Information

Molecular Formula
C15H14O2S
SMILES
CC(C)(C1=CC2=C(C=C1)OC3=CC=CC=C3S2)O
InChI
InChI=1S/C15H14O2S/c1-15(2,16)10-7-8-12-14(9-10)18-13-6-4-3-5-11(13)17-12/h3-9,16H,1-2H3
InChIKey
AFUKOWWYNSANRE-UHFFFAOYSA-N
Compound name
2-phenoxathiin-2-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.07144 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07872 154.0
[M+Na]+ 281.06066 162.7
[M-H]- 257.06416 158.9
[M+NH4]+ 276.10526 171.9
[M+K]+ 297.03460 159.4
[M+H-H2O]+ 241.06870 148.5
[M+HCOO]- 303.06964 166.6
[M+CH3COO]- 317.08529 166.2
[M+Na-2H]- 279.04611 161.9
[M]+ 258.07089 156.6
[M]- 258.07199 156.6
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.