CID 3022819

93893-73-3

Structural Information

Molecular Formula
C9H12N2O5S
SMILES
CC(C)NS(=O)(=O)C1=CC(=C(C=C1)O)[N+](=O)[O-]
InChI
InChI=1S/C9H12N2O5S/c1-6(2)10-17(15,16)7-3-4-9(12)8(5-7)11(13)14/h3-6,10,12H,1-2H3
InChIKey
PWONTUXZZVKGDR-UHFFFAOYSA-N
Compound name
4-hydroxy-3-nitro-N-propan-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0467 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.053976 150.2
[M+Na]+ 283.035918 156.3
[M-H]- 259.039424 152.8
[M+NH4]+ 278.080523 165.3
[M+K]+ 299.009858 149.6
[M+H-H2O]+ 243.043960 148.6
[M+HCOO]- 305.044901 168.2
[M+CH3COO]- 319.060551 186.1
[M+Na-2H]- 281.021366 155.8
[M]+ 260.04615142 150.0
[M]- 260.04724858 150.0
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.