CID 167724560

En300-39879299

Structural Information

Molecular Formula
C7H11BF3O2
SMILES
[B-]([C@@H]1[C@H]([C@H]1C(=O)OCC)C)(F)(F)F
InChI
InChI=1S/C7H11BF3O2/c1-3-13-7(12)5-4(2)6(5)8(9,10)11/h4-6H,3H2,1-2H3/q-1/t4-,5+,6+/m0/s1
InChIKey
UTXMUEURSNTFFF-KVQBGUIXSA-N
Compound name
[(1R,2S,3R)-2-ethoxycarbonyl-3-methylcyclopropyl]-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.08041 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.087686 132.0
[M+Na]+ 218.069628 142.1
[M-H]- 194.073134 131.6
[M+NH4]+ 213.114233 146.6
[M+K]+ 234.043568 139.7
[M+H-H2O]+ 178.077670 126.7
[M+HCOO]- 240.078611 150.0
[M+CH3COO]- 254.094261 185.4
[M+Na-2H]- 216.055076 134.7
[M]+ 195.07986142 131.0
[M]- 195.08095858 131.0
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.