CID 45479875

Potassium phenoxymethyltrifluoroborate

Structural Information

Molecular Formula
C7H7BF3O
SMILES
[B-](COC1=CC=CC=C1)(F)(F)F
InChI
InChI=1S/C7H7BF3O/c9-8(10,11)6-12-7-4-2-1-3-5-7/h1-5H,6H2/q-1
InChIKey
AJFZQGAXLVRPMG-UHFFFAOYSA-N
Compound name
trifluoro(phenoxymethyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

175.0542 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.06148 127.5
[M+Na]+ 198.04342 135.4
[M-H]- 174.04692 125.5
[M+NH4]+ 193.08802 147.0
[M+K]+ 214.01736 133.5
[M+H-H2O]+ 158.05146 122.1
[M+HCOO]- 220.05240 147.3
[M+CH3COO]- 234.06805 175.6
[M+Na-2H]- 196.02887 134.4
[M]+ 175.05365 122.0
[M]- 175.05475 122.0
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.