CID 46738072

1314957-11-3

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 156.8
[M+Na]+ 281.08052 165.2
[M+NH4]+ 276.12512 161.4
[M+K]+ 297.05446 161.6
[M-H]- 257.08402 155.3
[M+Na-2H]- 279.06597 159.8
[M]+ 258.09075 156.9
[M]- 258.09185 156.9
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.