CID 66877785

1192347-69-5

Structural Information

Molecular Formula

C₈H₁₀ClNO₂S

SMILES

CS(=O)(=O)C1=CC(=CC(=C1)CN)Cl

InChI

InChI=1S/C8H10ClNO2S/c1-13(11,12)8-3-6(5-10)2-7(9)4-8/h2-4H,5,10H2,1H3

InChIKey

WVPIKPCTRYFRKB-UHFFFAOYSA-N

Compound name

(3-chloro-5-methylsulfonylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 219.01208 Da
Monoisotopic Mass: 0.6
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]+	220.01936	142.2
[M+Na]+	242.00130	152.4
[M-H]-	218.00480	146.3
[M+NH4]+	237.04590	162.0
[M+K]+	257.97524	147.6
[M+H-H2O]+	202.00934	137.9
[M+HCOO]-	264.01028	156.7
[M+CH3COO]-	278.02593	185.1
[M+Na-2H]-	239.98675	145.8
[M]+	219.01153	145.6
[M]-	219.01263	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe