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]+ 140.06148 121.3
[M+Na]+ 162.04342 129.3
[M-H]- 138.04692 116.3
[M+NH4]+ 157.08802 142.4
[M+K]+ 178.01736 128.9
[M+H-H2O]+ 122.05146 117.5
[M+HCOO]- 184.05240 139.6
[M+CH3COO]- 198.06805 171.2
[M+Na-2H]- 160.02887 125.8
[M]+ 139.05365 115.7
[M]- 139.05475 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.