CID 62379398

2839139-31-8

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

3
Patents

165.05899 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.066266 128.5
[M+Na]+ 188.048208 139.6
[M-H]- 164.051714 133.1
[M+NH4]+ 183.092813 150.9
[M+K]+ 204.022148 137.4
[M+H-H2O]+ 148.056250 122.6
[M+HCOO]- 210.057191 153.9
[M+CH3COO]- 224.072841 179.5
[M+Na-2H]- 186.033656 136.7
[M]+ 165.05844142 129.5
[M]- 165.05953858 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