CID 4210223

Trifluoro(pyridine)boron

Structural Information

Molecular Formula
C5H5BF3N
SMILES
[B-]([N+]1=CC=CC=C1)(F)(F)F
InChI
InChI=1S/C5H5BF3N/c7-6(8,9)10-4-2-1-3-5-10/h1-5H
InChIKey
SSHUVOOGZYSGLK-UHFFFAOYSA-N
Compound name
trifluoro(pyridin-1-ium-1-yl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.0467 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.05398 120.1
[M+Na]+ 170.03592 129.0
[M-H]- 146.03942 117.4
[M+NH4]+ 165.08052 139.2
[M+K]+ 186.00986 121.6
[M+H-H2O]+ 130.04396 117.1
[M+HCOO]- 192.04490 138.9
[M+CH3COO]- 206.06055 163.7
[M+Na-2H]- 168.02137 130.5
[M]+ 147.04615 111.8
[M]- 147.04725 111.8
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.