CID 46738072

Potassium 4-(morpholine-4-carbonyl)phenyltrifluoroborate

Structural Information

Molecular Formula
C11H12BF3NO2
SMILES
[B-](C1=CC=C(C=C1)C(=O)N2CCOCC2)(F)(F)F
InChI
InChI=1S/C11H12BF3NO2/c13-12(14,15)10-3-1-9(2-4-10)11(17)16-5-7-18-8-6-16/h1-4H,5-8H2/q-1
InChIKey
UCJILVOIGRXVQB-UHFFFAOYSA-N
Compound name
trifluoro-[4-(morpholine-4-carbonyl)phenyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0913 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09858 150.3
[M+Na]+ 281.08052 155.7
[M-H]- 257.08402 149.9
[M+NH4]+ 276.12512 163.2
[M+K]+ 297.05446 153.8
[M+H-H2O]+ 241.08856 142.4
[M+HCOO]- 303.08950 163.1
[M+CH3COO]- 317.10515 189.2
[M+Na-2H]- 279.06597 153.8
[M]+ 258.09075 140.9
[M]- 258.09185 140.9
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.