CID 21371

2-((o-chlorophenyl)dithio)ethylamine hydrochloride

Structural Information

Molecular Formula
C8H10ClNS2
SMILES
C1=CC=C(C(=C1)SSCCN)Cl
InChI
InChI=1S/C8H10ClNS2/c9-7-3-1-2-4-8(7)12-11-6-5-10/h1-4H,5-6,10H2
InChIKey
PFERHOHKCPJUJL-UHFFFAOYSA-N
Compound name
2-[(2-chlorophenyl)disulfanyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.99432 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.00160 139.4
[M+Na]+ 241.98354 148.0
[M-H]- 217.98704 142.5
[M+NH4]+ 237.02814 159.1
[M+K]+ 257.95748 141.5
[M+H-H2O]+ 201.99158 134.7
[M+HCOO]- 263.99252 148.8
[M+CH3COO]- 278.00817 186.1
[M+Na-2H]- 239.96899 140.8
[M]+ 218.99377 142.0
[M]- 218.99487 142.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.