CID 2782891

850623-38-0

Structural Information

Molecular Formula
C7H5BF3O2
SMILES
[B-](C1=CC=C(C=C1)C(=O)O)(F)(F)F
InChI
InChI=1S/C7H5BF3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)/q-1
InChIKey
ZKKOFLYTHCFPHP-UHFFFAOYSA-N
Compound name
(4-carboxyphenyl)-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.03346 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04074 137.0
[M+Na]+ 212.02268 145.4
[M+NH4]+ 207.06728 141.7
[M+K]+ 227.99662 142.3
[M-H]- 188.02618 132.6
[M+Na-2H]- 210.00813 140.0
[M]+ 189.03291 136.2
[M]- 189.03401 136.2
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.