CID 62379398

1-(5-fluoro-1-benzofuran-2-yl)methanaminehydrochloride

Structural Information

Molecular Formula
C9H8FNO
SMILES
C1=CC2=C(C=C1F)C=C(O2)CN
InChI
InChI=1S/C9H8FNO/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4H,5,11H2
InChIKey
LTOFWMJHHXPYQU-UHFFFAOYSA-N
Compound name
(5-fluoro-1-benzofuran-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

165.05899 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06627 128.5
[M+Na]+ 188.04821 139.6
[M-H]- 164.05171 133.1
[M+NH4]+ 183.09281 150.9
[M+K]+ 204.02215 137.4
[M+H-H2O]+ 148.05625 122.6
[M+HCOO]- 210.05719 153.9
[M+CH3COO]- 224.07284 179.5
[M+Na-2H]- 186.03366 136.7
[M]+ 165.05844 129.5
[M]- 165.05954 129.5
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

patents stripe