CID 16218093

Potassium 3-hydroxyphenyltrifluoroborate

Structural Information

Molecular Formula
C6H5BF3O
SMILES
[B-](C1=CC(=CC=C1)O)(F)(F)F
InChI
InChI=1S/C6H5BF3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H/q-1
InChIKey
NSUCCVOCWHWGGR-UHFFFAOYSA-N
Compound name
trifluoro-(3-hydroxyphenyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.03856 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.04584 122.3
[M+Na]+ 184.02778 131.2
[M-H]- 160.03128 119.5
[M+NH4]+ 179.07238 142.0
[M+K]+ 200.00172 128.6
[M+H-H2O]+ 144.03582 117.7
[M+HCOO]- 206.03676 141.0
[M+CH3COO]- 220.05241 170.7
[M+Na-2H]- 182.01323 128.7
[M]+ 161.03801 115.0
[M]- 161.03911 115.0
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.