CID 43512013

6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine hydrochloride

Structural Information

Molecular Formula

C₈H₇Cl₂NO

SMILES

C1C(C2=C(O1)C(=C(C=C2)Cl)Cl)N

InChI

InChI=1S/C8H7Cl2NO/c9-5-2-1-4-6(11)3-12-8(4)7(5)10/h1-2,6H,3,11H2

InChIKey

URMAYQIYUBDETJ-UHFFFAOYSA-N

Compound name

6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 202.99046 Da
Monoisotopic Mass: 1.8
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]+	203.997736	140.5
[M+Na]+	225.979678	151.8
[M-H]-	201.983184	145.0
[M+NH4]+	221.024283	162.4
[M+K]+	241.953618	147.2
[M+H-H2O]+	185.987720	137.2
[M+HCOO]-	247.988661	154.3
[M+CH3COO]-	262.004311	154.4
[M+Na-2H]-	223.965126	145.4
[M]+	202.98991142	142.6
[M]-	202.99100858	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe