CID 16218095

Potassium 3,4-(methylenedioxy)phenyltrifluoroborate

Structural Information

Molecular Formula
C7H5BF3O2
SMILES
[B-](C1=CC2=C(C=C1)OCO2)(F)(F)F
InChI
InChI=1S/C7H5BF3O2/c9-8(10,11)5-1-2-6-7(3-5)13-4-12-6/h1-3H,4H2/q-1
InChIKey
DCMALAGDBADQRL-UHFFFAOYSA-N
Compound name
1,3-benzodioxol-5-yl(trifluoro)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

189.03346 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04074 128.2
[M+Na]+ 212.02268 137.5
[M-H]- 188.02618 128.8
[M+NH4]+ 207.06728 147.5
[M+K]+ 227.99662 137.5
[M+H-H2O]+ 172.03072 123.9
[M+HCOO]- 234.03166 145.6
[M+CH3COO]- 248.04731 176.4
[M+Na-2H]- 210.00813 136.3
[M]+ 189.03291 124.0
[M]- 189.03401 124.0
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.