CID 2160995

4-[3-(chloromethyl)benzenesulfonyl]morpholine

Structural Information

Molecular Formula
C11H14ClNO3S
SMILES
C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CCl
InChI
InChI=1S/C11H14ClNO3S/c12-9-10-2-1-3-11(8-10)17(14,15)13-4-6-16-7-5-13/h1-3,8H,4-7,9H2
InChIKey
GGZAEHHVKQQWFO-UHFFFAOYSA-N
Compound name
4-[3-(chloromethyl)phenyl]sulfonylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

275.0383 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.04558 156.6
[M+Na]+ 298.02752 164.1
[M-H]- 274.03102 162.3
[M+NH4]+ 293.07212 171.3
[M+K]+ 314.00146 160.8
[M+H-H2O]+ 258.03556 150.2
[M+HCOO]- 320.03650 165.5
[M+CH3COO]- 334.05215 190.4
[M+Na-2H]- 296.01297 160.8
[M]+ 275.03775 158.4
[M]- 275.03885 158.4
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