CID 31535

22819-24-5

Structural Information

Molecular Formula

C₉H₁₀N₂O₆S

SMILES

CCOC(=O)NS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-]

InChI

InChI=1S/C9H10N2O6S/c1-2-17-9(12)10-18(15,16)8-5-3-4-7(6-8)11(13)14/h3-6H,2H2,1H3,(H,10,12)

InChIKey

SLZGNLCNDUCQFA-UHFFFAOYSA-N

Compound name

ethyl N-(3-nitrophenyl)sulfonylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 274.02597 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	275.03325	152.8
[M+Na]+	297.01519	162.1
[M+NH4]+	292.05979	158.0
[M+K]+	312.98913	160.2
[M-H]-	273.01869	153.3
[M+Na-2H]-	295.00064	156.7
[M]+	274.02542	154.2
[M]-	274.02652	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe