CID 2782875

Potassium 4-formylphenyltrifluoroborate

Structural Information

Molecular Formula
C7H5BF3O
SMILES
[B-](C1=CC=C(C=C1)C=O)(F)(F)F
InChI
InChI=1S/C7H5BF3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-5H/q-1
InChIKey
VPXHVBDJOFSGKU-UHFFFAOYSA-N
Compound name
trifluoro-(4-formylphenyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

173.03856 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.04584 125.6
[M+Na]+ 196.02778 134.9
[M-H]- 172.03128 124.1
[M+NH4]+ 191.07238 145.5
[M+K]+ 212.00172 132.4
[M+H-H2O]+ 156.03582 120.6
[M+HCOO]- 218.03676 145.7
[M+CH3COO]- 232.05241 175.7
[M+Na-2H]- 194.01323 131.9
[M]+ 173.03801 119.9
[M]- 173.03911 119.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.