CID 146155134

Rac-potassium [(1r,2s)-3,3-difluoro-[1,1'-bi(cyclopropane)]-2-yl]trifluoroboranuide

Structural Information

Molecular Formula
C6H7BF5
SMILES
[B-]([C@@H]1[C@H](C1(F)F)C2CC2)(F)(F)F
InChI
InChI=1S/C6H7BF5/c8-6(9)4(3-1-2-3)5(6)7(10,11)12/h3-5H,1-2H2/q-1/t4-,5-/m1/s1
InChIKey
KUTILDISBKENFV-RFZPGFLSSA-N
Compound name
[(1R,3S)-3-cyclopropyl-2,2-difluorocyclopropyl]-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.05609 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.06337 127.4
[M+Na]+ 208.04531 136.2
[M-H]- 184.04881 128.1
[M+NH4]+ 203.08991 137.1
[M+K]+ 224.01925 135.1
[M+H-H2O]+ 168.05335 121.2
[M+HCOO]- 230.05429 141.3
[M+CH3COO]- 244.06994 192.9
[M+Na-2H]- 206.03076 130.5
[M]+ 185.05554 123.6
[M]- 185.05664 123.6
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.