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 179.5
[M+Na]+ 391.00452 186.3
[M-H]- 367.00802 185.5
[M+NH4]+ 386.04912 193.0
[M+K]+ 406.97846 179.1
[M+H-H2O]+ 351.01256 173.5
[M+HCOO]- 413.01350 189.3
[M+CH3COO]- 427.02915 214.4
[M+Na-2H]- 388.98997 180.2
[M]+ 368.01475 184.4
[M]- 368.01585 184.4
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.