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

3
Patents

333.04376 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.051036 169.9
[M+Na]+ 356.032978 176.2
[M-H]- 332.036484 175.5
[M+NH4]+ 351.077583 182.0
[M+K]+ 372.006918 173.7
[M+H-H2O]+ 316.041020 163.1
[M+HCOO]- 378.041961 177.9
[M+CH3COO]- 392.057611 199.4
[M+Na-2H]- 354.018426 172.8
[M]+ 333.04321142 173.9
[M]- 333.04430858 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

patents stripe