CID 698000

2-(morpholin-4-ylsulfonyl)benzonitrile

Structural Information

Molecular Formula
C11H12N2O3S
SMILES
C1COCCN1S(=O)(=O)C2=CC=CC=C2C#N
InChI
InChI=1S/C11H12N2O3S/c12-9-10-3-1-2-4-11(10)17(14,15)13-5-7-16-8-6-13/h1-4H,5-8H2
InChIKey
MOCWSYCHYDMWDR-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylsulfonylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

252.05687 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.06415 153.2
[M+Na]+ 275.04609 164.2
[M+NH4]+ 270.09069 157.1
[M+K]+ 291.02003 154.6
[M-H]- 251.04959 149.0
[M+Na-2H]- 273.03154 156.5
[M]+ 252.05632 153.1
[M]- 252.05742 153.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe