CID 73995228

Potassium [3-(2-methoxyethylamine-1-carbonyl)phenyl]trifluoroborate

Structural Information

Molecular Formula
C10H12BF3NO2
SMILES
[B-](C1=CC(=CC=C1)C(=O)NCCOC)(F)(F)F
InChI
InChI=1S/C10H12BF3NO2/c1-17-6-5-15-10(16)8-3-2-4-9(7-8)11(12,13)14/h2-4,7H,5-6H2,1H3,(H,15,16)/q-1
InChIKey
WEEPPPRWXWKWNP-UHFFFAOYSA-N
Compound name
trifluoro-[3-(2-methoxyethylcarbamoyl)phenyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.09132 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09860 147.3
[M+Na]+ 269.08054 154.0
[M-H]- 245.08404 145.2
[M+NH4]+ 264.12514 163.7
[M+K]+ 285.05448 151.6
[M+H-H2O]+ 229.08858 141.0
[M+HCOO]- 291.08952 166.6
[M+CH3COO]- 305.10517 191.5
[M+Na-2H]- 267.06599 151.1
[M]+ 246.09077 142.5
[M]- 246.09187 142.5
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.