CID 146049751

En300-26619320

Structural Information

Molecular Formula
C6H7BF5O2
SMILES
[B-]([C@@H]1[C@H](C1(F)F)C(=O)OCC)(F)(F)F
InChI
InChI=1S/C6H7BF5O2/c1-2-14-5(13)3-4(6(3,8)9)7(10,11)12/h3-4H,2H2,1H3/q-1/t3-,4+/m0/s1
InChIKey
VMIOELSEGWXESJ-IUYQGCFVSA-N
Compound name
[(1R,3S)-3-ethoxycarbonyl-2,2-difluorocyclopropyl]-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.04593 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.05321 157.0
[M+Na]+ 240.03515 161.4
[M+NH4]+ 235.07975 160.5
[M+K]+ 256.00909 159.4
[M-H]- 216.03865 155.0
[M+Na-2H]- 238.02060 158.5
[M]+ 217.04538 157.2
[M]- 217.04648 157.2
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.