CID 46902165

1027642-26-7

Structural Information

Molecular Formula
C9H11BF3O2
SMILES
[B-](COCC1=CC=C(C=C1)OC)(F)(F)F
InChI
InChI=1S/C9H11BF3O2/c1-14-9-4-2-8(3-5-9)6-15-7-10(11,12)13/h2-5H,6-7H2,1H3/q-1
InChIKey
OUXWPRVDRCMHOF-UHFFFAOYSA-N
Compound name
trifluoro-[(4-methoxyphenyl)methoxymethyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

219.08041 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.08769 146.2
[M+Na]+ 242.06963 155.0
[M+NH4]+ 237.11423 151.3
[M+K]+ 258.04357 150.5
[M-H]- 218.07313 142.6
[M+Na-2H]- 240.05508 149.6
[M]+ 219.07986 145.9
[M]- 219.08096 145.9
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.