CID 4408615

303104-26-9

Structural Information

Molecular Formula
C13H11NO3S
SMILES
C1=CC=C(C=C1)C(=O)NC(C(=O)C2=CC=CS2)O
InChI
InChI=1S/C13H11NO3S/c15-11(10-7-4-8-18-10)13(17)14-12(16)9-5-2-1-3-6-9/h1-8,13,17H,(H,14,16)
InChIKey
FJAYIJBUZPEXHU-UHFFFAOYSA-N
Compound name
N-(1-hydroxy-2-oxo-2-thiophen-2-ylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.04596 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.053236 159.0
[M+Na]+ 284.035178 164.4
[M-H]- 260.038684 164.5
[M+NH4]+ 279.079783 176.2
[M+K]+ 300.009118 161.2
[M+H-H2O]+ 244.043220 152.3
[M+HCOO]- 306.044161 176.8
[M+CH3COO]- 320.059811 191.4
[M+Na-2H]- 282.020626 158.9
[M]+ 261.04541142 159.3
[M]- 261.04650858 159.3
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.