CID 46902165

Potassium trifluoro({[(4-methoxyphenyl)methoxy]methyl})boranuide

Structural Information

Molecular Formula
C9H11BF3O2
SMILES
[B-](COCC1=CC=C(C=C1)OC)(F)(F)F
InChI
InChI=1S/C9H11BF3O2/c1-14-9-4-2-8(3-5-9)6-15-7-10(11,12)13/h2-5H,6-7H2,1H3/q-1
InChIKey
OUXWPRVDRCMHOF-UHFFFAOYSA-N
Compound name
trifluoro-[(4-methoxyphenyl)methoxymethyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

15
Patents

219.08041 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.087686 140.2
[M+Na]+ 242.069628 148.1
[M-H]- 218.073134 138.2
[M+NH4]+ 237.114233 158.1
[M+K]+ 258.043568 146.2
[M+H-H2O]+ 202.077670 134.3
[M+HCOO]- 264.078611 159.5
[M+CH3COO]- 278.094261 184.7
[M+Na-2H]- 240.055076 145.3
[M]+ 219.07986142 137.2
[M]- 219.08095858 137.2
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

patents stripe