CID 119030847

Benzyl 2-[(chlorosulfonyl)methyl]morpholine-4-carboxylate

Structural Information

Molecular Formula
C13H16ClNO5S
SMILES
C1COC(CN1C(=O)OCC2=CC=CC=C2)CS(=O)(=O)Cl
InChI
InChI=1S/C13H16ClNO5S/c14-21(17,18)10-12-8-15(6-7-19-12)13(16)20-9-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKey
PNLZWWGBUHSCDJ-UHFFFAOYSA-N
Compound name
benzyl 2-(chlorosulfonylmethyl)morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.04376 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.05104 169.9
[M+Na]+ 356.03298 176.2
[M-H]- 332.03648 175.5
[M+NH4]+ 351.07758 182.0
[M+K]+ 372.00692 173.7
[M+H-H2O]+ 316.04102 163.1
[M+HCOO]- 378.04196 177.9
[M+CH3COO]- 392.05761 199.4
[M+Na-2H]- 354.01843 172.8
[M]+ 333.04321 173.9
[M]- 333.04431 173.9
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

No patent data available for this compound.