CID 8675

135-68-2

Structural Information

Molecular Formula

C₁₂H₁₀ClN

SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)Cl)N

InChI

InChI=1S/C12H10ClN/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,14H2

InChIKey

OREQWMWYRYXCDF-UHFFFAOYSA-N

Compound name

4-(4-chlorophenyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 213
Patents: 203.05017 Da
Monoisotopic Mass: 4.3
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]+	204.05745	141.7
[M+Na]+	226.03939	151.2
[M-H]-	202.04289	148.3
[M+NH4]+	221.08399	161.4
[M+K]+	242.01333	145.4
[M+H-H2O]+	186.04743	135.8
[M+HCOO]-	248.04837	162.7
[M+CH3COO]-	262.06402	155.5
[M+Na-2H]-	224.02484	148.3
[M]+	203.04962	141.4
[M]-	203.05072	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe