CID 54592970

4-fluoro-2-(piperidin-4-yl)-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C12H14FN3
SMILES
C1CNCCC1C2=NC3=C(N2)C=CC=C3F
InChI
InChI=1S/C12H14FN3/c13-9-2-1-3-10-11(9)16-12(15-10)8-4-6-14-7-5-8/h1-3,8,14H,4-7H2,(H,15,16)
InChIKey
OZFSPTBWTWLOJV-UHFFFAOYSA-N
Compound name
4-fluoro-2-piperidin-4-yl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

219.11717 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.12445 147.6
[M+Na]+ 242.10639 155.6
[M-H]- 218.10989 147.0
[M+NH4]+ 237.15099 163.3
[M+K]+ 258.08033 149.1
[M+H-H2O]+ 202.11443 138.1
[M+HCOO]- 264.11537 162.3
[M+CH3COO]- 278.13102 158.0
[M+Na-2H]- 240.09184 151.9
[M]+ 219.11662 140.4
[M]- 219.11772 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe