CID 211765

O-chloro-n-phenylbenzamidine

Structural Information

Molecular Formula

C₁₃H₁₁ClN₂

SMILES

C1=CC=C(C=C1)N=C(C2=CC=CC=C2Cl)N

InChI

InChI=1S/C13H11ClN2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9H,(H2,15,16)

InChIKey

FMRPAAQOMPCOPX-UHFFFAOYSA-N

Compound name

2-chloro-N'-phenylbenzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 230.06108 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]+	231.06836	150.5
[M+Na]+	253.05030	165.3
[M+NH4]+	248.09490	160.4
[M+K]+	269.02424	156.4
[M-H]-	229.05380	157.1
[M+Na-2H]-	251.03575	161.3
[M]+	230.06053	154.9
[M]-	230.06163	154.9

Literature stripe

literature stripe

Patent stripe

patents stripe