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]+ 235.04234 150.3
[M+Na]+ 257.02428 158.5
[M-H]- 233.02778 156.4
[M+NH4]+ 252.06888 169.7
[M+K]+ 272.99822 155.1
[M+H-H2O]+ 217.03232 144.3
[M+HCOO]- 279.03326 169.5
[M+CH3COO]- 293.04891 184.3
[M+Na-2H]- 255.00973 151.6
[M]+ 234.03451 153.4
[M]- 234.03561 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.