CID 3018871

79817-49-5

Structural Information

Molecular Formula
C14H12ClN3O5S
SMILES
CC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C14H12ClN3O5S/c1-9(19)16-10-2-4-11(5-3-10)17-24(22,23)12-6-7-13(15)14(8-12)18(20)21/h2-8,17H,1H3,(H,16,19)
InChIKey
FAGBGCWSFWSOHI-UHFFFAOYSA-N
Compound name
N-[4-[(4-chloro-3-nitrophenyl)sulfonylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.01862 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.02590 175.5
[M+Na]+ 392.00784 187.3
[M+NH4]+ 387.05244 181.3
[M+K]+ 407.98178 183.2
[M-H]- 368.01134 179.5
[M+Na-2H]- 389.99329 182.3
[M]+ 369.01807 178.7
[M]- 369.01917 178.7
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.