CID 3688337

4-((2-chloro-5-nitrophenyl)sulfonyl)morpholine

Structural Information

Molecular Formula
C10H11ClN2O5S
SMILES
C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C10H11ClN2O5S/c11-9-2-1-8(13(14)15)7-10(9)19(16,17)12-3-5-18-6-4-12/h1-2,7H,3-6H2
InChIKey
HZUSSXQFEXYNEA-UHFFFAOYSA-N
Compound name
4-(2-chloro-5-nitrophenyl)sulfonylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

306.00772 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.01500 161.0
[M+Na]+ 328.99694 167.1
[M-H]- 305.00044 166.8
[M+NH4]+ 324.04154 173.1
[M+K]+ 344.97088 160.4
[M+H-H2O]+ 289.00498 159.0
[M+HCOO]- 351.00592 171.1
[M+CH3COO]- 365.02157 189.9
[M+Na-2H]- 326.98239 167.5
[M]+ 306.00717 160.9
[M]- 306.00827 160.9
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