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]+ 348.045576 178.0
[M+Na]+ 370.027518 187.0
[M-H]- 346.031024 189.9
[M+NH4]+ 365.072123 196.3
[M+K]+ 386.001458 182.0
[M+H-H2O]+ 330.035560 171.5
[M+HCOO]- 392.036501 194.3
[M+CH3COO]- 406.052151 208.5
[M+Na-2H]- 368.012966 179.0
[M]+ 347.03775142 182.9
[M]- 347.03884858 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.