CID 44148669

5-nitro-2-phenoxytoluene alpha-sulphonamide

Structural Information

Molecular Formula
C13H12N2O5S
SMILES
C1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])CS(=O)(=O)N
InChI
InChI=1S/C13H12N2O5S/c14-21(18,19)9-10-8-11(15(16)17)6-7-13(10)20-12-4-2-1-3-5-12/h1-8H,9H2,(H2,14,18,19)
InChIKey
YKCBEQBMEBKXJT-UHFFFAOYSA-N
Compound name
(5-nitro-2-phenoxyphenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.0467 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.053976 164.5
[M+Na]+ 331.035918 170.7
[M-H]- 307.039424 170.9
[M+NH4]+ 326.080523 177.7
[M+K]+ 347.009858 162.7
[M+H-H2O]+ 291.043960 161.0
[M+HCOO]- 353.044901 184.5
[M+CH3COO]- 367.060551 195.4
[M+Na-2H]- 329.021366 171.3
[M]+ 308.04615142 164.7
[M]- 308.04724858 164.7
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.