CID 17998925

Potassium 4-isoquinolinetrifluoroborate

Structural Information

Molecular Formula
C9H6BF3N
SMILES
[B-](C1=CN=CC2=CC=CC=C12)(F)(F)F
InChI
InChI=1S/C9H6BF3N/c11-10(12,13)9-6-14-5-7-3-1-2-4-8(7)9/h1-6H/q-1
InChIKey
CWUYEQPJLXCLAQ-UHFFFAOYSA-N
Compound name
trifluoro(isoquinolin-4-yl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

196.05453 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.061806 131.8
[M+Na]+ 219.043748 141.3
[M-H]- 195.047254 129.7
[M+NH4]+ 214.088353 150.4
[M+K]+ 235.017688 137.3
[M+H-H2O]+ 179.051790 125.3
[M+HCOO]- 241.052731 149.3
[M+CH3COO]- 255.068381 180.7
[M+Na-2H]- 217.029196 140.3
[M]+ 196.05398142 125.4
[M]- 196.05507858 125.4
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

No patent data available for this compound.