CID 165950478

Potassium (1,3-dimethoxypropan-2-yl)trifluoroboranuide

Structural Information

Molecular Formula
C5H11BF3O2
SMILES
[B-](C(COC)COC)(F)(F)F
InChI
InChI=1S/C5H11BF3O2/c1-10-3-5(4-11-2)6(7,8)9/h5H,3-4H2,1-2H3/q-1
InChIKey
IVCQBTSCEIBIGB-UHFFFAOYSA-N
Compound name
1,3-dimethoxypropan-2-yl(trifluoro)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08041 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.087686 130.9
[M+Na]+ 194.069628 138.1
[M-H]- 170.073134 125.6
[M+NH4]+ 189.114233 150.7
[M+K]+ 210.043568 138.5
[M+H-H2O]+ 154.077670 126.5
[M+HCOO]- 216.078611 149.0
[M+CH3COO]- 230.094261 177.1
[M+Na-2H]- 192.055076 134.9
[M]+ 171.07986142 127.8
[M]- 171.08095858 127.8
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.