CID 124707321

(5-fluoro-1h-1,3-benzodiazol-4-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C8H8FN3
SMILES
C1=CC(=C(C2=C1NC=N2)CN)F
InChI
InChI=1S/C8H8FN3/c9-6-1-2-7-8(5(6)3-10)12-4-11-7/h1-2,4H,3,10H2,(H,11,12)
InChIKey
XQHFJVABZMPAPQ-UHFFFAOYSA-N
Compound name
(5-fluoro-1H-benzimidazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

165.07022 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.077496 129.7
[M+Na]+ 188.059438 140.7
[M-H]- 164.062944 129.5
[M+NH4]+ 183.104043 149.9
[M+K]+ 204.033378 136.1
[M+H-H2O]+ 148.067480 122.2
[M+HCOO]- 210.068421 152.0
[M+CH3COO]- 224.084071 143.2
[M+Na-2H]- 186.044886 137.1
[M]+ 165.06967142 127.5
[M]- 165.07076858 127.5
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.