CID 206581

28173-81-1

Structural Information

Molecular Formula
C15H15NO4S
SMILES
C1=CC=C(C=C1)S(=O)CCOC2=C(C=C(C=C2)O)C(=O)N
InChI
InChI=1S/C15H15NO4S/c16-15(18)13-10-11(17)6-7-14(13)20-8-9-21(19)12-4-2-1-3-5-12/h1-7,10,17H,8-9H2,(H2,16,18)
InChIKey
JIWAOCHAGYWUEJ-UHFFFAOYSA-N
Compound name
2-[2-(benzenesulfinyl)ethoxy]-5-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.07217 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.079446 167.5
[M+Na]+ 328.061388 173.6
[M-H]- 304.064894 172.4
[M+NH4]+ 323.105993 181.1
[M+K]+ 344.035328 169.3
[M+H-H2O]+ 288.069430 159.8
[M+HCOO]- 350.070371 184.3
[M+CH3COO]- 364.086021 201.5
[M+Na-2H]- 326.046836 167.8
[M]+ 305.07162142 169.3
[M]- 305.07271858 169.3
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.