CID 69277451

3,4-diamino-2-chlorophenol

Structural Information

Molecular Formula

C₆H₇ClN₂O

SMILES

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

InChI

InChI=1S/C6H7ClN2O/c7-5-4(10)2-1-3(8)6(5)9/h1-2,10H,8-9H2

InChIKey

MDBJJUGZMDAIGD-UHFFFAOYSA-N

Compound name

3,4-diamino-2-chlorophenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 4
Patents: 158.02469 Da
Monoisotopic Mass: 0.8
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]+	159.03197	127.3
[M+Na]+	181.01391	139.6
[M+NH4]+	176.05851	136.0
[M+K]+	196.98785	134.1
[M-H]-	157.01741	130.0
[M+Na-2H]-	178.99936	133.7
[M]+	158.02414	129.9
[M]-	158.02524	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe