CID 155822268

Potassium [(1z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-en-1-yl]trifluoroboranuide

Structural Information

Molecular Formula
C9H13BF3O2
SMILES
[B-](/C(=C/C(=O)OC)/C1CCCC1)(F)(F)F
InChI
InChI=1S/C9H13BF3O2/c1-15-9(14)6-8(10(11,12)13)7-4-2-3-5-7/h6-7H,2-5H2,1H3/q-1/b8-6+
InChIKey
IGINITIJMSKGSG-SOFGYWHQSA-N
Compound name
[(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.09607 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.10335 145.5
[M+Na]+ 244.08529 150.6
[M-H]- 220.08879 142.6
[M+NH4]+ 239.12989 164.5
[M+K]+ 260.05923 149.0
[M+H-H2O]+ 204.09333 140.3
[M+HCOO]- 266.09427 161.0
[M+CH3COO]- 280.10992 182.7
[M+Na-2H]- 242.07074 144.8
[M]+ 221.09552 137.0
[M]- 221.09662 137.0
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.