CID 11470158

252726-24-2

Structural Information

Molecular Formula
C8H7BF3O
SMILES
[B-](C1=CC=C(C=C1)C(=O)C)(F)(F)F
InChI
InChI=1S/C8H7BF3O/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-5H,1H3/q-1
InChIKey
DKAXVDPEHRDATG-UHFFFAOYSA-N
Compound name
(4-acetylphenyl)-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

187.0542 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.061476 129.9
[M+Na]+ 210.043418 138.5
[M-H]- 186.046924 128.3
[M+NH4]+ 205.088023 149.1
[M+K]+ 226.017358 136.2
[M+H-H2O]+ 170.051460 124.8
[M+HCOO]- 232.052401 148.7
[M+CH3COO]- 246.068051 179.5
[M+Na-2H]- 208.028866 134.5
[M]+ 187.05365142 123.9
[M]- 187.05474858 123.9
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.