CID 165942331

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.11717 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.12445 155.8
[M+Na]+ 278.10639 166.1
[M-H]- 254.10989 158.6
[M+NH4]+ 273.15099 172.1
[M+K]+ 294.08033 158.9
[M+H-H2O]+ 238.11443 146.6
[M+HCOO]- 300.11537 177.2
[M+CH3COO]- 314.13102 167.7
[M+Na-2H]- 276.09184 161.1
[M]+ 255.11662 154.1
[M]- 255.11772 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.