CID 13007805

4-(thiophen-2-yl)benzene-1,2-diamine

Structural Information

Molecular Formula

C₁₀H₁₀N₂S

SMILES

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

InChI

InChI=1S/C10H10N2S/c11-8-4-3-7(6-9(8)12)10-2-1-5-13-10/h1-6H,11-12H2

InChIKey

XWTMGMKBRLLEFX-UHFFFAOYSA-N

Compound name

4-thiophen-2-ylbenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 57
Patents: 190.05647 Da
Monoisotopic Mass: 1.9
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]+	191.06375	138.6
[M+Na]+	213.04569	150.3
[M+NH4]+	208.09029	148.6
[M+K]+	229.01963	143.5
[M-H]-	189.04919	144.3
[M+Na-2H]-	211.03114	146.7
[M]+	190.05592	142.3
[M]-	190.05702	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe