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
1
Annotation Hits

0
References

2
Patents

244.05177 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05905 148.7
[M+Na]+ 267.04099 155.1
[M-H]- 243.04449 152.5
[M+NH4]+ 262.08559 165.2
[M+K]+ 283.01493 148.1
[M+H-H2O]+ 227.04903 146.7
[M+HCOO]- 289.04997 169.0
[M+CH3COO]- 303.06562 184.7
[M+Na-2H]- 265.02644 155.9
[M]+ 244.05122 149.3
[M]- 244.05232 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