CID 81881545

7-fluoroisoquinolin-1-amine

Structural Information

Molecular Formula
C9H7FN2
SMILES
C1=CC(=CC2=C1C=CN=C2N)F
InChI
InChI=1S/C9H7FN2/c10-7-2-1-6-3-4-12-9(11)8(6)5-7/h1-5H,(H2,11,12)
InChIKey
YHVHLXHUVCPJBE-UHFFFAOYSA-N
Compound name
7-fluoroisoquinolin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.05933 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06661 129.2
[M+Na]+ 185.04855 139.3
[M-H]- 161.05205 131.3
[M+NH4]+ 180.09315 149.6
[M+K]+ 201.02249 135.5
[M+H-H2O]+ 145.05659 121.9
[M+HCOO]- 207.05753 151.8
[M+CH3COO]- 221.07318 143.0
[M+Na-2H]- 183.03400 138.2
[M]+ 162.05878 126.4
[M]- 162.05988 126.4
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