CID 21936182

885950-20-9

Structural Information

Molecular Formula

C₁₂H₁₂ClNS

SMILES

CNCC1=CC=C(S1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H12ClNS/c1-14-8-11-6-7-12(15-11)9-2-4-10(13)5-3-9/h2-7,14H,8H2,1H3

InChIKey

SQULDDZAAPHJGM-UHFFFAOYSA-N

Compound name

1-[5-(4-chlorophenyl)thiophen-2-yl]-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 237.0379 Da
Monoisotopic Mass: 3.3
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]+	238.04518	150.7
[M+Na]+	260.02712	160.5
[M-H]-	236.03062	158.2
[M+NH4]+	255.07172	171.8
[M+K]+	276.00106	154.5
[M+H-H2O]+	220.03516	145.2
[M+HCOO]-	282.03610	167.8
[M+CH3COO]-	296.05175	164.3
[M+Na-2H]-	258.01257	152.6
[M]+	237.03735	154.3
[M]-	237.03845	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe