CID 90220099

Potassium [2-(ethoxycarbonyl)-1-methylcyclopropyl]trifluoroboranuide

Structural Information

Molecular Formula
C7H11BF3O2
SMILES
[B-](C1(CC1C(=O)OCC)C)(F)(F)F
InChI
InChI=1S/C7H11BF3O2/c1-3-13-6(12)5-4-7(5,2)8(9,10)11/h5H,3-4H2,1-2H3/q-1
InChIKey
NXGJWIVVJMRWNO-UHFFFAOYSA-N
Compound name
(2-ethoxycarbonyl-1-methylcyclopropyl)-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

195.08041 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.08769 132.8
[M+Na]+ 218.06963 142.7
[M-H]- 194.07313 132.5
[M+NH4]+ 213.11423 149.0
[M+K]+ 234.04357 141.4
[M+H-H2O]+ 178.07767 128.7
[M+HCOO]- 240.07861 150.5
[M+CH3COO]- 254.09426 183.9
[M+Na-2H]- 216.05508 137.3
[M]+ 195.07986 132.0
[M]- 195.08096 132.0
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

patents stripe