CID 59284599

2-(cyclopropanesulfonyl)aniline

Structural Information

Molecular Formula

C₉H₁₁NO₂S

SMILES

C1CC1S(=O)(=O)C2=CC=CC=C2N

InChI

InChI=1S/C9H11NO2S/c10-8-3-1-2-4-9(8)13(11,12)7-5-6-7/h1-4,7H,5-6,10H2

InChIKey

JOVGCDJBUVAZEU-UHFFFAOYSA-N

Compound name

2-cyclopropylsulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 197.05106 Da
Monoisotopic Mass: 1.4
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]+	198.05834	135.3
[M+Na]+	220.04028	145.3
[M-H]-	196.04378	142.8
[M+NH4]+	215.08488	149.9
[M+K]+	236.01422	141.2
[M+H-H2O]+	180.04832	129.2
[M+HCOO]-	242.04926	154.8
[M+CH3COO]-	256.06491	185.0
[M+Na-2H]-	218.02573	140.4
[M]+	197.05051	138.1
[M]-	197.05161	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe