CID 11435906

1-(4-chlorobenzenesulfonyl)aziridine

Structural Information

Molecular Formula
C8H8ClNO2S
SMILES
C1CN1S(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C8H8ClNO2S/c9-7-1-3-8(4-2-7)13(11,12)10-5-6-10/h1-4H,5-6H2
InChIKey
WUYWBQDHJYOXBP-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)sulfonylaziridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

216.99643 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.00371 139.8
[M+Na]+ 239.98565 151.3
[M-H]- 215.98915 146.4
[M+NH4]+ 235.03025 153.6
[M+K]+ 255.95959 146.4
[M+H-H2O]+ 199.99369 133.8
[M+HCOO]- 261.99463 153.6
[M+CH3COO]- 276.01028 184.3
[M+Na-2H]- 237.97110 145.0
[M]+ 216.99588 145.8
[M]- 216.99698 145.8
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