CID 165919217

2-[5-(4-fluorophenyl)-1h-1,3-benzodiazol-2-yl]ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C15H14FN3
SMILES
C1=CC(=CC=C1C2=CC3=C(C=C2)N=C(N3)CCN)F
InChI
InChI=1S/C15H14FN3/c16-12-4-1-10(2-5-12)11-3-6-13-14(9-11)19-15(18-13)7-8-17/h1-6,9H,7-8,17H2,(H,18,19)
InChIKey
ZWVNERDVWHMISO-UHFFFAOYSA-N
Compound name
2-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

255.11717 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.124446 155.8
[M+Na]+ 278.106388 166.1
[M-H]- 254.109894 158.6
[M+NH4]+ 273.150993 172.1
[M+K]+ 294.080328 158.9
[M+H-H2O]+ 238.114430 146.6
[M+HCOO]- 300.115371 177.2
[M+CH3COO]- 314.131021 167.7
[M+Na-2H]- 276.091836 161.1
[M]+ 255.11662142 154.1
[M]- 255.11771858 154.1
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.