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]+ 197.06181 131.8
[M+Na]+ 219.04375 141.3
[M-H]- 195.04725 129.7
[M+NH4]+ 214.08835 150.4
[M+K]+ 235.01769 137.3
[M+H-H2O]+ 179.05179 125.3
[M+HCOO]- 241.05273 149.3
[M+CH3COO]- 255.06838 180.7
[M+Na-2H]- 217.02920 140.3
[M]+ 196.05398 125.4
[M]- 196.05508 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.