CID 362131

2-phenyl-1-tosylazetidine

Structural Information

Molecular Formula
C16H17NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCC2C3=CC=CC=C3
InChI
InChI=1S/C16H17NO2S/c1-13-7-9-15(10-8-13)20(18,19)17-12-11-16(17)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3
InChIKey
HACCQCDRPIBLHF-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)sulfonyl-2-phenylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

287.098 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.10528 158.7
[M+Na]+ 310.08722 165.2
[M-H]- 286.09072 166.6
[M+NH4]+ 305.13182 166.9
[M+K]+ 326.06116 163.7
[M+H-H2O]+ 270.09526 144.7
[M+HCOO]- 332.09620 173.5
[M+CH3COO]- 346.11185 200.7
[M+Na-2H]- 308.07267 161.8
[M]+ 287.09745 168.4
[M]- 287.09855 168.4
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