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

3
Patents

306.00772 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.014996 161.0
[M+Na]+ 328.996938 167.1
[M-H]- 305.000444 166.8
[M+NH4]+ 324.041543 173.1
[M+K]+ 344.970878 160.4
[M+H-H2O]+ 289.004980 159.0
[M+HCOO]- 351.005921 171.1
[M+CH3COO]- 365.021571 189.9
[M+Na-2H]- 326.982386 167.5
[M]+ 306.00717142 160.9
[M]- 306.00826858 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