CID 274147

4-[(6-chloropyridin-3-yl)sulfonyl]morpholine

Structural Information

Molecular Formula
C9H11ClN2O3S
SMILES
C1COCCN1S(=O)(=O)C2=CN=C(C=C2)Cl
InChI
InChI=1S/C9H11ClN2O3S/c10-9-2-1-8(7-11-9)16(13,14)12-3-5-15-6-4-12/h1-2,7H,3-6H2
InChIKey
BHGFDIYEFUUCNM-UHFFFAOYSA-N
Compound name
4-(6-chloropyridin-3-yl)sulfonylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

61
Patents

262.01788 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.02516 152.0
[M+Na]+ 285.00710 160.3
[M-H]- 261.01060 156.6
[M+NH4]+ 280.05170 165.8
[M+K]+ 300.98104 157.4
[M+H-H2O]+ 245.01514 145.0
[M+HCOO]- 307.01608 160.2
[M+CH3COO]- 321.03173 187.2
[M+Na-2H]- 282.99255 157.0
[M]+ 262.01733 153.4
[M]- 262.01843 153.4
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