CID 115020449

5-chloro-4-fluoronaphthalen-2-amine hydrochloride

Structural Information

Molecular Formula

C₁₀H₇ClFN

SMILES

C1=CC2=CC(=CC(=C2C(=C1)Cl)F)N

InChI

InChI=1S/C10H7ClFN/c11-8-3-1-2-6-4-7(13)5-9(12)10(6)8/h1-5H,13H2

InChIKey

BSWYVFJKXYEHDI-UHFFFAOYSA-N

Compound name

5-chloro-4-fluoronaphthalen-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 195.0251 Da
Monoisotopic Mass: 3.2
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]+	196.03238	134.1
[M+Na]+	218.01432	149.3
[M+NH4]+	213.05892	144.4
[M+K]+	233.98826	141.0
[M-H]-	194.01782	137.4
[M+Na-2H]-	215.99977	142.3
[M]+	195.02455	137.6
[M]-	195.02565	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe