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]+ 294.035016 158.6
[M+Na]+ 316.016958 169.8
[M-H]- 292.020464 167.8
[M+NH4]+ 311.061563 169.4
[M+K]+ 331.990898 163.6
[M+H-H2O]+ 276.025000 151.3
[M+HCOO]- 338.025941 172.2
[M+CH3COO]- 352.041591 170.6
[M+Na-2H]- 314.002406 162.9
[M]+ 293.02719142 164.7
[M]- 293.02828858 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

literature stripe

Patent stripe

patents stripe