CID 49761676

1023357-66-5

Structural Information

Molecular Formula
C7H13BF3O2
SMILES
[B-](CCC(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C7H13BF3O2/c1-7(2,3)13-6(12)4-5-8(9,10)11/h4-5H2,1-3H3/q-1
InChIKey
UVLUMHHDDWOQGG-UHFFFAOYSA-N
Compound name
trifluoro-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

197.09607 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.10335 144.9
[M+Na]+ 220.08529 150.7
[M+NH4]+ 215.12989 148.6
[M+K]+ 236.05923 148.5
[M-H]- 196.08879 137.9
[M+Na-2H]- 218.07074 144.5
[M]+ 197.09552 143.0
[M]- 197.09662 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.