CID 137942470

3-(benzyloxy)azetidine-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H12ClNO3S
SMILES
C1C(CN1S(=O)(=O)Cl)OCC2=CC=CC=C2
InChI
InChI=1S/C10H12ClNO3S/c11-16(13,14)12-6-10(7-12)15-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKey
MVNMUZKKXMJSCN-UHFFFAOYSA-N
Compound name
3-phenylmethoxyazetidine-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

261.02264 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.029916 143.6
[M+Na]+ 284.011858 150.7
[M-H]- 260.015364 148.6
[M+NH4]+ 279.056463 153.8
[M+K]+ 299.985798 149.9
[M+H-H2O]+ 244.019900 131.9
[M+HCOO]- 306.020841 154.7
[M+CH3COO]- 320.036491 191.8
[M+Na-2H]- 281.997306 147.8
[M]+ 261.02209142 156.6
[M]- 261.02318858 156.6
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

patents stripe