CID 853399

2-(2-hydroxy-phenoxy)-1-thiophen-2-yl-ethanone

Structural Information

Molecular Formula
C12H10O3S
SMILES
C1=CC=C(C(=C1)O)OCC(=O)C2=CC=CS2
InChI
InChI=1S/C12H10O3S/c13-9-4-1-2-5-11(9)15-8-10(14)12-6-3-7-16-12/h1-7,13H,8H2
InChIKey
DZRBFVOTYCGWEP-UHFFFAOYSA-N
Compound name
2-(2-hydroxyphenoxy)-1-thiophen-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

234.03506 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.042336 150.3
[M+Na]+ 257.024278 158.5
[M-H]- 233.027784 156.4
[M+NH4]+ 252.068883 169.7
[M+K]+ 272.998218 155.1
[M+H-H2O]+ 217.032320 144.3
[M+HCOO]- 279.033261 169.5
[M+CH3COO]- 293.048911 184.3
[M+Na-2H]- 255.009726 151.6
[M]+ 234.03451142 153.4
[M]- 234.03560858 153.4
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.