CID 22612362

(4,5-dichlorothiophen-2-yl)methanamine hydrochloride

Structural Information

Molecular Formula

C₅H₅Cl₂NS

SMILES

C1=C(SC(=C1Cl)Cl)CN

InChI

InChI=1S/C5H5Cl2NS/c6-4-1-3(2-8)9-5(4)7/h1H,2,8H2

InChIKey

FNOSDPLGPQNSMH-UHFFFAOYSA-N

Compound name

(4,5-dichlorothiophen-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 180.95198 Da
Monoisotopic Mass: 2.1
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]+	181.95926	133.2
[M+Na]+	203.94120	144.4
[M-H]-	179.94470	136.8
[M+NH4]+	198.98580	156.7
[M+K]+	219.91514	139.0
[M+H-H2O]+	163.94924	130.3
[M+HCOO]-	225.95018	144.9
[M+CH3COO]-	239.96583	178.3
[M+Na-2H]-	201.92665	134.2
[M]+	180.95143	136.0
[M]-	180.95253	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe