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 129.8
[M+Na]+ 240.03515 140.9
[M-H]- 216.03865 127.3
[M+NH4]+ 235.07975 145.2
[M+K]+ 256.00909 138.8
[M+H-H2O]+ 200.04319 124.1
[M+HCOO]- 262.04413 145.7
[M+CH3COO]- 276.05978 187.6
[M+Na-2H]- 238.02060 133.3
[M]+ 217.04538 126.5
[M]- 217.04648 126.5
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.