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 174.6
[M+Na]+ 360.04318 182.1
[M-H]- 336.04668 182.8
[M+NH4]+ 355.08778 189.7
[M+K]+ 376.01712 177.4
[M+H-H2O]+ 320.05122 167.7
[M+HCOO]- 382.05216 188.8
[M+CH3COO]- 396.06781 208.4
[M+Na-2H]- 358.02863 177.3
[M]+ 337.05341 180.6
[M]- 337.05451 180.6
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.