CID 10559496

3-chloro-5-(ethylsulfanyl)anilinehydrochloride

Structural Information

Molecular Formula

C₈H₁₀ClNS

SMILES

CCSC1=CC(=CC(=C1)N)Cl

InChI

InChI=1S/C8H10ClNS/c1-2-11-8-4-6(9)3-7(10)5-8/h3-5H,2,10H2,1H3

InChIKey

AUMUEPFABYQCPD-UHFFFAOYSA-N

Compound name

3-chloro-5-ethylsulfanylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 187.02225 Da
Monoisotopic Mass: 2.7
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]+	188.02953	136.5
[M+Na]+	210.01147	150.0
[M+NH4]+	205.05607	146.8
[M+K]+	225.98541	140.3
[M-H]-	186.01497	140.3
[M+Na-2H]-	207.99692	143.5
[M]+	187.02170	140.4
[M]-	187.02280	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe