CID 19627200

3-fluoro-4-(4-methyl-1h-pyrazol-1-yl)aniline

Structural Information

Molecular Formula

C₁₀H₁₀FN₃

SMILES

CC1=CN(N=C1)C2=C(C=C(C=C2)N)F

InChI

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

InChIKey

ZOCYAVCCCBDDCL-UHFFFAOYSA-N

Compound name

3-fluoro-4-(4-methylpyrazol-1-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 191.08588 Da
Monoisotopic Mass: 1.7
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]+	192.09316	139.9
[M+Na]+	214.07510	152.7
[M+NH4]+	209.11970	147.7
[M+K]+	230.04904	148.0
[M-H]-	190.07860	142.1
[M+Na-2H]-	212.06055	147.6
[M]+	191.08533	142.2
[M]-	191.08643	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe