CID 16215474

Potassium trifluoro(3-oxobutyl)boranuide

Structural Information

Molecular Formula
C4H7BF3O
SMILES
[B-](CCC(=O)C)(F)(F)F
InChI
InChI=1S/C4H7BF3O/c1-4(9)2-3-5(6,7)8/h2-3H2,1H3/q-1
InChIKey
KSWUVRUMAYMAAZ-UHFFFAOYSA-N
Compound name
trifluoro(3-oxobutyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.0542 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.061476 121.3
[M+Na]+ 162.043418 129.3
[M-H]- 138.046924 116.3
[M+NH4]+ 157.088023 142.4
[M+K]+ 178.017358 128.9
[M+H-H2O]+ 122.051460 117.4
[M+HCOO]- 184.052401 139.6
[M+CH3COO]- 198.068051 171.2
[M+Na-2H]- 160.028866 125.8
[M]+ 139.05365142 115.7
[M]- 139.05474858 115.7
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.