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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	338.061236	174.6
[M+Na]+	360.043178	182.1
[M-H]-	336.046684	182.8
[M+NH4]+	355.087783	189.7
[M+K]+	376.017118	177.4
[M+H-H2O]+	320.051220	167.7
[M+HCOO]-	382.052161	188.8
[M+CH3COO]-	396.067811	208.4
[M+Na-2H]-	358.028626	177.3
[M]+	337.05341142	180.6
[M]-	337.05450858	180.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.