CID 23111494

2-fluoro-4-(piperazin-1-yl)phenol dihydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃FN₂O

SMILES

C1CN(CCN1)C2=CC(=C(C=C2)O)F

InChI

InChI=1S/C10H13FN2O/c11-9-7-8(1-2-10(9)14)13-5-3-12-4-6-13/h1-2,7,12,14H,3-6H2

InChIKey

XBTLCBGQVYJENK-UHFFFAOYSA-N

Compound name

2-fluoro-4-piperazin-1-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 196.1012 Da
Monoisotopic Mass: 1.1
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]+	197.108476	142.9
[M+Na]+	219.090418	149.2
[M-H]-	195.093924	142.4
[M+NH4]+	214.135023	158.0
[M+K]+	235.064358	144.8
[M+H-H2O]+	179.098460	134.2
[M+HCOO]-	241.099401	157.8
[M+CH3COO]-	255.115051	178.2
[M+Na-2H]-	217.075866	147.1
[M]+	196.10065142	134.7
[M]-	196.10174858	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe