CID 122155384

7-fluoroisoquinoline-8-carboxylic acid

Structural Information

Molecular Formula
C10H6FNO2
SMILES
C1=CC(=C(C2=C1C=CN=C2)C(=O)O)F
InChI
InChI=1S/C10H6FNO2/c11-8-2-1-6-3-4-12-5-7(6)9(8)10(13)14/h1-5H,(H,13,14)
InChIKey
ONWAQCJVFPMDNQ-UHFFFAOYSA-N
Compound name
7-fluoroisoquinoline-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.03825 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.045526 135.3
[M+Na]+ 214.027468 145.2
[M-H]- 190.030974 136.5
[M+NH4]+ 209.072073 154.1
[M+K]+ 230.001408 141.7
[M+H-H2O]+ 174.035510 128.1
[M+HCOO]- 236.036451 155.2
[M+CH3COO]- 250.052101 180.8
[M+Na-2H]- 212.012916 142.7
[M]+ 191.03770142 134.3
[M]- 191.03879858 134.3
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.