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]+ 188.097866 133.5
[M+Na]+ 210.079808 140.7
[M-H]- 186.083314 131.2
[M+NH4]+ 205.124413 152.6
[M+K]+ 226.053748 137.8
[M+H-H2O]+ 170.087850 127.9
[M+HCOO]- 232.088791 152.5
[M+CH3COO]- 246.104441 179.8
[M+Na-2H]- 208.065256 139.3
[M]+ 187.09004142 127.4
[M]- 187.09113858 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.