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

12
Patents

175.0542 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.061476 127.5
[M+Na]+ 198.043418 135.4
[M-H]- 174.046924 125.5
[M+NH4]+ 193.088023 147.0
[M+K]+ 214.017358 133.5
[M+H-H2O]+ 158.051460 122.1
[M+HCOO]- 220.052401 147.3
[M+CH3COO]- 234.068051 175.6
[M+Na-2H]- 196.028866 134.4
[M]+ 175.05365142 122.0
[M]- 175.05474858 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

patents stripe