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]+ 196.08769 132.0
[M+Na]+ 218.06963 142.1
[M-H]- 194.07313 131.6
[M+NH4]+ 213.11423 146.6
[M+K]+ 234.04357 139.7
[M+H-H2O]+ 178.07767 126.7
[M+HCOO]- 240.07861 150.0
[M+CH3COO]- 254.09426 185.4
[M+Na-2H]- 216.05508 134.7
[M]+ 195.07986 131.0
[M]- 195.08096 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.