CID 44717224

850623-44-8

Structural Information

Molecular Formula
C13H11BF3O
SMILES
[B-](C1=CC=CC=C1OCC2=CC=CC=C2)(F)(F)F
InChI
InChI=1S/C13H11BF3O/c15-14(16,17)12-8-4-5-9-13(12)18-10-11-6-2-1-3-7-11/h1-9H,10H2/q-1
InChIKey
TVKOPDPSILLWHY-UHFFFAOYSA-N
Compound name
trifluoro-(2-phenylmethoxyphenyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.08551 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.09279 154.1
[M+Na]+ 274.07473 165.2
[M+NH4]+ 269.11933 160.3
[M+K]+ 290.04867 159.0
[M-H]- 250.07823 153.5
[M+Na-2H]- 272.06018 160.9
[M]+ 251.08496 155.2
[M]- 251.08606 155.2
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.