CID 14818275

125106-41-4

Structural Information

Molecular Formula

C₈H₁₂N₂O₂S

SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)N)N

InChI

InChI=1S/C8H12N2O2S/c1-2-13(11,12)6-3-4-7(9)8(10)5-6/h3-5H,2,9-10H2,1H3

InChIKey

JRCUHLAJCDQEAS-UHFFFAOYSA-N

Compound name

4-ethylsulfonylbenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 200.06195 Da
Monoisotopic Mass: 0.3
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]+	201.06923	141.9
[M+Na]+	223.05117	151.7
[M+NH4]+	218.09577	149.2
[M+K]+	239.02511	145.5
[M-H]-	199.05467	143.4
[M+Na-2H]-	221.03662	146.7
[M]+	200.06140	143.9
[M]-	200.06250	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe