CID 2305336

Propan-2-yl n-(4-chlorophenyl)sulfonylbenzenecarboximidate

Structural Information

Molecular Formula
C16H16ClNO3S
SMILES
CC(C)OC(=NS(=O)(=O)C1=CC=C(C=C1)Cl)C2=CC=CC=C2
InChI
InChI=1S/C16H16ClNO3S/c1-12(2)21-16(13-6-4-3-5-7-13)18-22(19,20)15-10-8-14(17)9-11-15/h3-12H,1-2H3
InChIKey
NGCHBWRQYKQNFO-UHFFFAOYSA-N
Compound name
propan-2-yl N-(4-chlorophenyl)sulfonylbenzenecarboximidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

337.05396 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.06124 175.1
[M+Na]+ 360.04318 188.1
[M+NH4]+ 355.08778 182.8
[M+K]+ 376.01712 179.4
[M-H]- 336.04668 178.8
[M+Na-2H]- 358.02863 183.3
[M]+ 337.05341 178.8
[M]- 337.05451 178.8
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.