CID 56845228

Potassium 3-phenylpropyltrifluoroborate

Structural Information

Molecular Formula
C9H11BF3
SMILES
[B-](CCCC1=CC=CC=C1)(F)(F)F
InChI
InChI=1S/C9H11BF3/c11-10(12,13)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2/q-1
InChIKey
WRHULGYXAOODLP-UHFFFAOYSA-N
Compound name
trifluoro(3-phenylpropyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.09059 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.09787 133.5
[M+Na]+ 210.07981 140.7
[M-H]- 186.08331 131.2
[M+NH4]+ 205.12441 152.6
[M+K]+ 226.05375 137.8
[M+H-H2O]+ 170.08785 127.9
[M+HCOO]- 232.08879 152.5
[M+CH3COO]- 246.10444 179.8
[M+Na-2H]- 208.06526 139.3
[M]+ 187.09004 127.4
[M]- 187.09114 127.4
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.