CID 3749218

4-(morpholine-4-sulfonyl)-2-nitrophenol

Structural Information

Molecular Formula
C10H12N2O6S
SMILES
C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-]
InChI
InChI=1S/C10H12N2O6S/c13-10-2-1-8(7-9(10)12(14)15)19(16,17)11-3-5-18-6-4-11/h1-2,7,13H,3-6H2
InChIKey
DODZJWILLKAOOE-UHFFFAOYSA-N
Compound name
4-morpholin-4-ylsulfonyl-2-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.0416 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.04888 154.5
[M+Na]+ 311.03082 165.3
[M+NH4]+ 306.07542 160.2
[M+K]+ 327.00476 163.4
[M-H]- 287.03432 157.5
[M+Na-2H]- 309.01627 158.9
[M]+ 288.04105 157.0
[M]- 288.04215 157.0
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

No patent data available for this compound.