CID 29669

1-(2-chlorophenyl)biguanide hydrochloride

Structural Information

Molecular Formula

C₈H₁₀ClN₅

SMILES

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

InChI

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

InChIKey

MKWFJPZMYHPQIA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 284
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]+	212.069746	147.0
[M+Na]+	234.051688	153.4
[M-H]-	210.055194	152.1
[M+NH4]+	229.096293	165.5
[M+K]+	250.025628	150.4
[M+H-H2O]+	194.059730	140.4
[M+HCOO]-	256.060671	171.9
[M+CH3COO]-	270.076321	199.7
[M+Na-2H]-	232.037136	150.9
[M]+	211.06192142	143.2
[M]-	211.06301858	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe