CID 132398970

1612792-88-7

Structural Information

Molecular Formula
C6H9BF3O2
SMILES
[B-]([C@@H]1C[C@H]1C(=O)OCC)(F)(F)F
InChI
InChI=1S/C6H9BF3O2/c1-2-12-6(11)4-3-5(4)7(8,9)10/h4-5H,2-3H2,1H3/q-1/t4-,5-/m1/s1
InChIKey
GKUOFPKWBDRZNO-RFZPGFLSSA-N
Compound name
[(1R,2R)-2-ethoxycarbonylcyclopropyl]-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

181.06477 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.07205 128.3
[M+Na]+ 204.05399 138.0
[M-H]- 180.05749 127.8
[M+NH4]+ 199.09859 143.2
[M+K]+ 220.02793 135.9
[M+H-H2O]+ 164.06203 122.9
[M+HCOO]- 226.06297 146.7
[M+CH3COO]- 240.07862 181.4
[M+Na-2H]- 202.03944 132.1
[M]+ 181.06422 126.7
[M]- 181.06532 126.7
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.