CID 14176661

1-(2-fluorophenyl)-3-methyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula

C₁₀H₁₀FN₃

SMILES

CC1=NN(C(=C1)N)C2=CC=CC=C2F

InChI

InChI=1S/C10H10FN3/c1-7-6-10(12)14(13-7)9-5-3-2-4-8(9)11/h2-6H,12H2,1H3

InChIKey

RQYDXGHWIAGQMR-UHFFFAOYSA-N

Compound name

2-(2-fluorophenyl)-5-methylpyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 191.08588 Da
Monoisotopic Mass: 2.0
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	138.4
[M+Na]+	214.075098	148.8
[M-H]-	190.078604	141.8
[M+NH4]+	209.119703	157.1
[M+K]+	230.049038	144.8
[M+H-H2O]+	174.083140	129.8
[M+HCOO]-	236.084081	161.7
[M+CH3COO]-	250.099731	151.9
[M+Na-2H]-	212.060546	142.8
[M]+	191.08533142	136.4
[M]-	191.08642858	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe