CID 3298129

N-(2-methoxy-4-nitrophenyl)methanesulfonamide

Structural Information

Molecular Formula
C8H10N2O5S
SMILES
COC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C
InChI
InChI=1S/C8H10N2O5S/c1-15-8-5-6(10(11)12)3-4-7(8)9-16(2,13)14/h3-5,9H,1-2H3
InChIKey
OGHIXDRDSPVXJZ-UHFFFAOYSA-N
Compound name
N-(2-methoxy-4-nitrophenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

32
Patents

246.03104 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.038316 146.7
[M+Na]+ 269.020258 154.0
[M-H]- 245.023764 150.9
[M+NH4]+ 264.064863 163.2
[M+K]+ 284.994198 147.9
[M+H-H2O]+ 229.028300 144.9
[M+HCOO]- 291.029241 167.5
[M+CH3COO]- 305.044891 185.0
[M+Na-2H]- 267.005706 154.1
[M]+ 246.03049142 148.6
[M]- 246.03158858 148.6
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