CID 3062019

80154-80-9

Structural Information

Molecular Formula

C₁₂H₁₂FNS

SMILES

C1=CSC(=C1)C(CC2=CC=C(C=C2)F)N

InChI

InChI=1S/C12H12FNS/c13-10-5-3-9(4-6-10)8-11(14)12-2-1-7-15-12/h1-7,11H,8,14H2

InChIKey

AHKIFNAZBGUNSO-UHFFFAOYSA-N

Compound name

2-(4-fluorophenyl)-1-thiophen-2-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 221.06744 Da
Monoisotopic Mass: 2.6
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]+	222.074716	146.2
[M+Na]+	244.056658	154.1
[M-H]-	220.060164	151.6
[M+NH4]+	239.101263	166.4
[M+K]+	260.030598	149.6
[M+H-H2O]+	204.064700	139.0
[M+HCOO]-	266.065641	165.3
[M+CH3COO]-	280.081291	188.5
[M+Na-2H]-	242.042106	146.7
[M]+	221.06689142	144.9
[M]-	221.06798858	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe