CID 44717226

850623-43-7

Structural Information

Molecular Formula
C14H13BF3O
SMILES
[B-](C1=C(C=C(C=C1)OCC2=CC=CC=C2)C)(F)(F)F
InChI
InChI=1S/C14H13BF3O/c1-11-9-13(7-8-14(11)15(16,17)18)19-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3/q-1
InChIKey
ZUQTUDCWYBWKBC-UHFFFAOYSA-N
Compound name
trifluoro-(2-methyl-4-phenylmethoxyphenyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.10117 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10845 152.0
[M+Na]+ 288.09039 160.1
[M-H]- 264.09389 153.3
[M+NH4]+ 283.13499 168.0
[M+K]+ 304.06433 155.6
[M+H-H2O]+ 248.09843 144.7
[M+HCOO]- 310.09937 170.9
[M+CH3COO]- 324.11502 194.5
[M+Na-2H]- 286.07584 156.3
[M]+ 265.10062 147.3
[M]- 265.10172 147.3
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.