CID 19933

4-chlorophenylbiguanide

Structural Information

Molecular Formula

C₈H₁₀ClN₅

SMILES

C1=CC(=CC=C1N=C(N)N=C(N)N)Cl

InChI

InChI=1S/C8H10ClN5/c9-5-1-3-6(4-2-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)

InChIKey

HTYFFCPFVMJTKM-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 32
References: 1755
Patents: 211.06247 Da
Monoisotopic Mass: 0.5
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]+	212.06975	147.0
[M+Na]+	234.05169	153.4
[M-H]-	210.05519	152.1
[M+NH4]+	229.09629	165.5
[M+K]+	250.02563	150.4
[M+H-H2O]+	194.05973	140.4
[M+HCOO]-	256.06067	171.9
[M+CH3COO]-	270.07632	199.7
[M+Na-2H]-	232.03714	150.9
[M]+	211.06192	143.2
[M]-	211.06302	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe