CID 6483867

956395-22-5

Structural Information

Molecular Formula

C₁₀H₁₀FN₃

SMILES

C1=CC(=CC(=C1)F)CN2C=C(C=N2)N

InChI

InChI=1S/C10H10FN3/c11-9-3-1-2-8(4-9)6-14-7-10(12)5-13-14/h1-5,7H,6,12H2

InChIKey

DNOLCFDXGUQEQK-UHFFFAOYSA-N

Compound name

1-[(3-fluorophenyl)methyl]pyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 191.08588 Da
Monoisotopic Mass: 1.2
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]+	192.093156	138.1
[M+Na]+	214.075098	147.5
[M-H]-	190.078604	141.0
[M+NH4]+	209.119703	156.4
[M+K]+	230.049038	143.5
[M+H-H2O]+	174.083140	129.1
[M+HCOO]-	236.084081	161.4
[M+CH3COO]-	250.099731	151.2
[M+Na-2H]-	212.060546	143.2
[M]+	191.08533142	135.6
[M]-	191.08642858	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe