CID 165997282

En300-28316302

Structural Information

Molecular Formula
C7H11BF3O3
SMILES
[B-](C1(COC1)CC(=O)OCC)(F)(F)F
InChI
InChI=1S/C7H11BF3O3/c1-2-14-6(12)3-7(4-13-5-7)8(9,10)11/h2-5H2,1H3/q-1
InChIKey
TZFSXHLAQCFOHT-UHFFFAOYSA-N
Compound name
[3-(2-ethoxy-2-oxoethyl)oxetan-3-yl]-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.07533 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.082606 137.9
[M+Na]+ 234.064548 143.5
[M-H]- 210.068054 136.6
[M+NH4]+ 229.109153 150.2
[M+K]+ 250.038488 147.3
[M+H-H2O]+ 194.072590 129.1
[M+HCOO]- 256.073531 153.3
[M+CH3COO]- 270.089181 184.3
[M+Na-2H]- 232.049996 143.1
[M]+ 211.07478142 143.0
[M]- 211.07587858 143.0
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.