CID 20493452

7-fluoroisoquinoline

Structural Information

Molecular Formula
C9H6FN
SMILES
C1=CC(=CC2=C1C=CN=C2)F
InChI
InChI=1S/C9H6FN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-6H
InChIKey
MVVLUJLORMBHLN-UHFFFAOYSA-N
Compound name
7-fluoroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

147.04843 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.05571 124.5
[M+Na]+ 170.03765 134.5
[M-H]- 146.04115 126.8
[M+NH4]+ 165.08225 145.8
[M+K]+ 186.01159 131.2
[M+H-H2O]+ 130.04569 117.3
[M+HCOO]- 192.04663 146.7
[M+CH3COO]- 206.06228 138.8
[M+Na-2H]- 168.02310 134.9
[M]+ 147.04788 123.0
[M]- 147.04898 123.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe