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 156.9
[M+Na]+ 311.03082 162.0
[M-H]- 287.03432 161.5
[M+NH4]+ 306.07542 168.1
[M+K]+ 327.00476 156.2
[M+H-H2O]+ 271.03886 154.1
[M+HCOO]- 333.03980 170.3
[M+CH3COO]- 347.05545 185.8
[M+Na-2H]- 309.01627 164.1
[M]+ 288.04105 154.4
[M]- 288.04215 154.4
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.