CID 90664

N-[2-(4-nitrophenyl)ethyl]methanesulfonamide

Structural Information

Molecular Formula
C9H12N2O4S
SMILES
CS(=O)(=O)NCCC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H12N2O4S/c1-16(14,15)10-7-6-8-2-4-9(5-3-8)11(12)13/h2-5,10H,6-7H2,1H3
InChIKey
NJCUPWWIUJMALZ-UHFFFAOYSA-N
Compound name
N-[2-(4-nitrophenyl)ethyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

244.05177 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.059046 148.7
[M+Na]+ 267.040988 155.1
[M-H]- 243.044494 152.5
[M+NH4]+ 262.085593 165.2
[M+K]+ 283.014928 148.1
[M+H-H2O]+ 227.049030 146.7
[M+HCOO]- 289.049971 169.0
[M+CH3COO]- 303.065621 184.7
[M+Na-2H]- 265.026436 155.9
[M]+ 244.05122142 149.3
[M]- 244.05231858 149.3
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

patents stripe