CID 255686

22771-99-9

Structural Information

Molecular Formula
C10H12ClNO3S
SMILES
C1COCCN1S(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H12ClNO3S/c11-9-1-3-10(4-2-9)16(13,14)12-5-7-15-8-6-12/h1-4H,5-8H2
InChIKey
DSDGQZJWZACMPK-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)sulfonylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

16
Patents

261.02264 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.02992 152.1
[M+Na]+ 284.01186 160.1
[M-H]- 260.01536 158.1
[M+NH4]+ 279.05646 167.4
[M+K]+ 299.98580 157.1
[M+H-H2O]+ 244.01990 145.9
[M+HCOO]- 306.02084 161.4
[M+CH3COO]- 320.03649 187.4
[M+Na-2H]- 281.99731 156.8
[M]+ 261.02209 153.6
[M]- 261.02319 153.6
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