CID 15839664

3-(morpholine-4-carbonyl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C11H12ClNO4S
SMILES
C1COCCN1C(=O)C2=CC(=CC=C2)S(=O)(=O)Cl
InChI
InChI=1S/C11H12ClNO4S/c12-18(15,16)10-3-1-2-9(8-10)11(14)13-4-6-17-7-5-13/h1-3,8H,4-7H2
InChIKey
ATOOEZUOKIDGAU-UHFFFAOYSA-N
Compound name
3-(morpholine-4-carbonyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.01755 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.02483 159.3
[M+Na]+ 312.00677 171.3
[M+NH4]+ 307.05137 166.4
[M+K]+ 327.98071 164.6
[M-H]- 288.01027 162.0
[M+Na-2H]- 309.99222 164.8
[M]+ 289.01700 162.4
[M]- 289.01810 162.4
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

No patent data available for this compound.