CID 63676010

Potassium (3,4-dimethoxyphenyl)trifluoroboranuide

Structural Information

Molecular Formula
C8H9BF3O2
SMILES
[B-](C1=CC(=C(C=C1)OC)OC)(F)(F)F
InChI
InChI=1S/C8H9BF3O2/c1-13-7-4-3-6(9(10,11)12)5-8(7)14-2/h3-5H,1-2H3/q-1
InChIKey
GOLPHEGOLNWSQE-UHFFFAOYSA-N
Compound name
(3,4-dimethoxyphenyl)-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

205.06477 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.07205 134.8
[M+Na]+ 228.05399 144.1
[M-H]- 204.05749 133.4
[M+NH4]+ 223.09859 153.7
[M+K]+ 244.02793 142.5
[M+H-H2O]+ 188.06203 129.5
[M+HCOO]- 250.06297 154.5
[M+CH3COO]- 264.07862 182.8
[M+Na-2H]- 226.03944 139.9
[M]+ 205.06422 131.9
[M]- 205.06532 131.9
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.