CID 44721321

5-fluoro-2-(2-piperidinyl)-1h-benzimidazole dihydrochloride

Structural Information

Molecular Formula

C₁₂H₁₄FN₃

SMILES

C1CCNC(C1)C2=NC3=C(N2)C=C(C=C3)F

InChI

InChI=1S/C12H14FN3/c13-8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10/h4-5,7,10,14H,1-3,6H2,(H,15,16)

InChIKey

WHFCKKIVCAMLFF-UHFFFAOYSA-N

Compound name

6-fluoro-2-piperidin-2-yl-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 219.11717 Da
Monoisotopic Mass: 1.9
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]+	220.124446	147.6
[M+Na]+	242.106388	155.6
[M-H]-	218.109894	147.0
[M+NH4]+	237.150993	163.3
[M+K]+	258.080328	149.1
[M+H-H2O]+	202.114430	138.1
[M+HCOO]-	264.115371	162.3
[M+CH3COO]-	278.131021	158.0
[M+Na-2H]-	240.091836	151.9
[M]+	219.11662142	140.4
[M]-	219.11771858	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe