CID 132398696

Rel-potassium ((1r,3s)-2,2-difluoro-3-phenylcyclopropyl)trifluoroborate

Structural Information

Molecular Formula
C9H7BF5
SMILES
[B-]([C@@H]1[C@H](C1(F)F)C2=CC=CC=C2)(F)(F)F
InChI
InChI=1S/C9H7BF5/c11-9(12)7(8(9)10(13,14)15)6-4-2-1-3-5-6/h1-5,7-8H/q-1/t7-,8-/m1/s1
InChIKey
HBDGMESQMXJNKA-HTQZYQBOSA-N
Compound name
[(1R,3S)-2,2-difluoro-3-phenylcyclopropyl]-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.05609 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.06337 156.8
[M+Na]+ 244.04531 163.6
[M+NH4]+ 239.08991 161.8
[M+K]+ 260.01925 159.6
[M-H]- 220.04881 157.7
[M+Na-2H]- 242.03076 161.7
[M]+ 221.05554 158.3
[M]- 221.05664 158.3
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.