CID 1548097

Phenyl n-(4-chlorophenyl)sulfonylbenzenecarboximidate

Structural Information

Molecular Formula
C19H14ClNO3S
SMILES
C1=CC=C(C=C1)C(=NS(=O)(=O)C2=CC=C(C=C2)Cl)OC3=CC=CC=C3
InChI
InChI=1S/C19H14ClNO3S/c20-16-11-13-18(14-12-16)25(22,23)21-19(15-7-3-1-4-8-15)24-17-9-5-2-6-10-17/h1-14H
InChIKey
NFXOEEDPMHRTCU-UHFFFAOYSA-N
Compound name
phenyl N-(4-chlorophenyl)sulfonylbenzenecarboximidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.0383 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.04558 184.2
[M+Na]+ 394.02752 192.2
[M-H]- 370.03102 195.3
[M+NH4]+ 389.07212 197.4
[M+K]+ 410.00146 186.0
[M+H-H2O]+ 354.03556 175.8
[M+HCOO]- 416.03650 199.8
[M+CH3COO]- 430.05215 212.5
[M+Na-2H]- 392.01297 188.9
[M]+ 371.03775 189.2
[M]- 371.03885 189.2
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.