CID 53487096

Potassium (3-(hydroxymethyl) phenyl)trifluoroborate

Structural Information

Molecular Formula
C7H7BF3O
SMILES
[B-](C1=CC(=CC=C1)CO)(F)(F)F
InChI
InChI=1S/C7H7BF3O/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4,12H,5H2/q-1
InChIKey
WGBYESVLBOUINQ-UHFFFAOYSA-N
Compound name
trifluoro-[3-(hydroxymethyl)phenyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

175.0542 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.061476 127.1
[M+Na]+ 198.043418 135.6
[M-H]- 174.046924 124.2
[M+NH4]+ 193.088023 146.3
[M+K]+ 214.017358 132.8
[M+H-H2O]+ 158.051460 122.3
[M+HCOO]- 220.052401 145.5
[M+CH3COO]- 234.068051 173.8
[M+Na-2H]- 196.028866 132.9
[M]+ 175.05365142 120.2
[M]- 175.05474858 120.2
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.