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

9
Patents

165.07022 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.07750 129.7
[M+Na]+ 188.05944 141.8
[M+NH4]+ 183.10404 137.6
[M+K]+ 204.03338 137.5
[M-H]- 164.06294 129.8
[M+Na-2H]- 186.04489 135.7
[M]+ 165.06967 131.2
[M]- 165.07077 131.2
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.