CID 47972

Brn 2772122

Structural Information

Molecular Formula
C16H14Cl2N2O2S
SMILES
C1=CC=C(C=C1)SC2=C(C=CC(=C2)NC(=O)CCl)NC(=O)CCl
InChI
InChI=1S/C16H14Cl2N2O2S/c17-9-15(21)19-11-6-7-13(20-16(22)10-18)14(8-11)23-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKey
VSZNPXWYEXPBLY-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-[(2-chloroacetyl)amino]-3-phenylsulfanylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.0153 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.02258 182.3
[M+Na]+ 391.00452 195.1
[M+NH4]+ 386.04912 190.2
[M+K]+ 406.97846 184.9
[M-H]- 367.00802 186.8
[M+Na-2H]- 388.98997 189.8
[M]+ 368.01475 186.4
[M]- 368.01585 186.4
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.