CID 515170

1-(10-oxophenoxathiin-2-yl)ethanol

Structural Information

Molecular Formula
C14H12O3S
SMILES
CC(C1=CC2=C(C=C1)OC3=CC=CC=C3S2=O)O
InChI
InChI=1S/C14H12O3S/c1-9(15)10-6-7-12-14(8-10)18(16)13-5-3-2-4-11(13)17-12/h2-9,15H,1H3
InChIKey
ROTMKNCHXJMWHM-UHFFFAOYSA-N
Compound name
1-(10-oxophenoxathiin-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.05072 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05800 151.5
[M+Na]+ 283.03994 160.8
[M-H]- 259.04344 156.7
[M+NH4]+ 278.08454 169.3
[M+K]+ 299.01388 157.7
[M+H-H2O]+ 243.04798 145.7
[M+HCOO]- 305.04892 165.1
[M+CH3COO]- 319.06457 164.0
[M+Na-2H]- 281.02539 157.4
[M]+ 260.05017 154.7
[M]- 260.05127 154.7
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

No patent data available for this compound.