CID 2856807

4-chloro-n-(1,1-dioxido-2,3-dihydro-3-thienyl)-n-phenylbenzamide

Structural Information

Molecular Formula
C17H14ClNO3S
SMILES
C1C(C=CS1(=O)=O)N(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H14ClNO3S/c18-14-8-6-13(7-9-14)17(20)19(15-4-2-1-3-5-15)16-10-11-23(21,22)12-16/h1-11,16H,12H2
InChIKey
YDWZCQMAAZRWOG-UHFFFAOYSA-N
Compound name
4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

347.0383 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.04558 178.0
[M+Na]+ 370.02752 187.0
[M-H]- 346.03102 189.9
[M+NH4]+ 365.07212 196.3
[M+K]+ 386.00146 182.0
[M+H-H2O]+ 330.03556 171.5
[M+HCOO]- 392.03650 194.3
[M+CH3COO]- 406.05215 208.5
[M+Na-2H]- 368.01297 179.0
[M]+ 347.03775 182.9
[M]- 347.03885 182.9
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.