CID 17998925

1111733-07-3

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 136.1
[M+Na]+ 219.04375 147.3
[M+NH4]+ 214.08835 142.8
[M+K]+ 235.01769 141.9
[M-H]- 195.04725 133.9
[M+Na-2H]- 217.02920 141.7
[M]+ 196.05398 136.7
[M]- 196.05508 136.7
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.