CID 703312

N-methyl-1-(4-nitrophenyl)methanesulfonamide

Structural Information

Molecular Formula
C8H10N2O4S
SMILES
CNS(=O)(=O)CC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H10N2O4S/c1-9-15(13,14)6-7-2-4-8(5-3-7)10(11)12/h2-5,9H,6H2,1H3
InChIKey
KZWPBAASZYQWIV-UHFFFAOYSA-N
Compound name
N-methyl-1-(4-nitrophenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

50
Patents

230.03613 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.043406 144.0
[M+Na]+ 253.025348 150.9
[M-H]- 229.028854 148.0
[M+NH4]+ 248.069953 161.1
[M+K]+ 268.999288 144.2
[M+H-H2O]+ 213.033390 142.3
[M+HCOO]- 275.034331 164.7
[M+CH3COO]- 289.049981 181.7
[M+Na-2H]- 251.010796 151.7
[M]+ 230.03558142 144.3
[M]- 230.03667858 144.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe