CID 199994

4-(methylsulfonyl)benzenecarboximidamide

Structural Information

Molecular Formula

C₈H₁₀N₂O₂S

SMILES

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

InChI

InChI=1S/C8H10N2O2S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H3,9,10)

InChIKey

ANPBNAUKOUYEGJ-UHFFFAOYSA-N

Compound name

4-methylsulfonylbenzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 31
Patents: 198.0463 Da
Monoisotopic Mass: 0.1
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]+	199.053576	139.5
[M+Na]+	221.035518	147.3
[M-H]-	197.039024	143.1
[M+NH4]+	216.080123	158.3
[M+K]+	237.009458	143.9
[M+H-H2O]+	181.043560	133.6
[M+HCOO]-	243.044501	158.7
[M+CH3COO]-	257.060151	185.1
[M+Na-2H]-	219.020966	143.5
[M]+	198.04575142	138.5
[M]-	198.04684858	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe