CID 7426764

916423-12-6

Structural Information

Molecular Formula

C₁₂H₁₂FN₃

SMILES

C1CNCC2=C1NN=C2C3=CC=CC=C3F

InChI

InChI=1S/C12H12FN3/c13-10-4-2-1-3-8(10)12-9-7-14-6-5-11(9)15-16-12/h1-4,14H,5-7H2,(H,15,16)

InChIKey

VOGZQPQAMQJQCG-UHFFFAOYSA-N

Compound name

3-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 217.10153 Da
Monoisotopic Mass: 1.4
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]+	218.10881	148.4
[M+Na]+	240.09075	160.7
[M+NH4]+	235.13535	156.1
[M+K]+	256.06469	155.5
[M-H]-	216.09425	149.3
[M+Na-2H]-	238.07620	154.4
[M]+	217.10098	150.2
[M]-	217.10208	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe