CID 2784017

1-(4-chloro-benzenesulfonyl)-2-phenyl-aziridine

Structural Information

Molecular Formula
C14H12ClNO2S
SMILES
C1C(N1S(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C14H12ClNO2S/c15-12-6-8-13(9-7-12)19(17,18)16-10-14(16)11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKey
NWSLSBSZJKJVGX-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)sulfonyl-2-phenylaziridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

12
Patents

293.02774 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.03502 158.6
[M+Na]+ 316.01696 169.8
[M-H]- 292.02046 167.8
[M+NH4]+ 311.06156 169.4
[M+K]+ 331.99090 163.6
[M+H-H2O]+ 276.02500 151.3
[M+HCOO]- 338.02594 172.2
[M+CH3COO]- 352.04159 170.6
[M+Na-2H]- 314.00241 162.9
[M]+ 293.02719 164.7
[M]- 293.02829 164.7
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.