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

24
Patents

261.02264 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.02992 143.6
[M+Na]+ 284.01186 150.7
[M-H]- 260.01536 148.6
[M+NH4]+ 279.05646 153.8
[M+K]+ 299.98580 149.9
[M+H-H2O]+ 244.01990 131.9
[M+HCOO]- 306.02084 154.7
[M+CH3COO]- 320.03649 191.8
[M+Na-2H]- 281.99731 147.8
[M]+ 261.02209 156.6
[M]- 261.02319 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