CID 155822000

Potassium [(1z)-1-cyclopropyl-3-ethoxy-3-oxoprop-1-en-1-yl]trifluoroboranuide

Structural Information

Molecular Formula
C8H11BF3O2
SMILES
[B-](/C(=C/C(=O)OCC)/C1CC1)(F)(F)F
InChI
InChI=1S/C8H11BF3O2/c1-2-14-8(13)5-7(6-3-4-6)9(10,11)12/h5-6H,2-4H2,1H3/q-1/b7-5+
InChIKey
URTKUTABIIPHHO-FNORWQNLSA-N
Compound name
[(Z)-1-cyclopropyl-3-ethoxy-3-oxoprop-1-enyl]-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08041 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.08769 135.8
[M+Na]+ 230.06963 144.0
[M-H]- 206.07313 134.8
[M+NH4]+ 225.11423 149.3
[M+K]+ 246.04357 141.3
[M+H-H2O]+ 190.07767 130.0
[M+HCOO]- 252.07861 153.0
[M+CH3COO]- 266.09426 185.3
[M+Na-2H]- 228.05508 138.1
[M]+ 207.07986 133.2
[M]- 207.08096 133.2
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.