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]+ 220.124446 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
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