CID 16218095

871231-46-8

Structural Information

Molecular Formula
C7H5BF3O2
SMILES
[B-](C1=CC2=C(C=C1)OCO2)(F)(F)F
InChI
InChI=1S/C7H5BF3O2/c9-8(10,11)5-1-2-6-7(3-5)13-4-12-6/h1-3H,4H2/q-1
InChIKey
DCMALAGDBADQRL-UHFFFAOYSA-N
Compound name
1,3-benzodioxol-5-yl(trifluoro)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

189.03346 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04074 137.6
[M+Na]+ 212.02268 146.6
[M+NH4]+ 207.06728 143.7
[M+K]+ 227.99662 144.8
[M-H]- 188.02618 136.5
[M+Na-2H]- 210.00813 139.5
[M]+ 189.03291 138.1
[M]- 189.03401 138.1
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.