CID 70699866

1-cyclohexyl-5-fluorobenzimidazole

Structural Information

Molecular Formula
C13H15FN2
SMILES
C1CCC(CC1)N2C=NC3=C2C=CC(=C3)F
InChI
InChI=1S/C13H15FN2/c14-10-6-7-13-12(8-10)15-9-16(13)11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChIKey
YQKDVPQQWNODMT-UHFFFAOYSA-N
Compound name
1-cyclohexyl-5-fluorobenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.12193 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.12921 146.9
[M+Na]+ 241.11115 155.2
[M-H]- 217.11465 150.3
[M+NH4]+ 236.15575 165.4
[M+K]+ 257.08509 150.5
[M+H-H2O]+ 201.11919 137.5
[M+HCOO]- 263.12013 165.6
[M+CH3COO]- 277.13578 159.0
[M+Na-2H]- 239.09660 151.5
[M]+ 218.12138 143.0
[M]- 218.12248 143.0
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

No patent data available for this compound.