CID 101910805

1622923-42-5

Structural Information

Molecular Formula
C10H9BF3O3
SMILES
[B-](C(=O)C1=CC(=CC=C1)C(=O)OCC)(F)(F)F
InChI
InChI=1S/C10H9BF3O3/c1-2-17-10(16)8-5-3-4-7(6-8)9(15)11(12,13)14/h3-6H,2H2,1H3/q-1
InChIKey
LJJLRBXSQNLEFJ-UHFFFAOYSA-N
Compound name
(3-ethoxycarbonylbenzoyl)-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.05968 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.06696 144.5
[M+Na]+ 268.04890 152.2
[M-H]- 244.05240 142.6
[M+NH4]+ 263.09350 161.1
[M+K]+ 284.02284 150.2
[M+H-H2O]+ 228.05694 138.7
[M+HCOO]- 290.05788 162.2
[M+CH3COO]- 304.07353 188.7
[M+Na-2H]- 266.03435 147.0
[M]+ 245.05913 140.6
[M]- 245.06023 140.6
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.