CID 132398696

Potassium (2,2-difluoro-3-phenylcyclopropyl)trifluoroboranuide

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 128.8
[M+Na]+ 244.04531 139.9
[M-H]- 220.04881 129.1
[M+NH4]+ 239.08991 143.8
[M+K]+ 260.01925 136.5
[M+H-H2O]+ 204.05335 121.6
[M+HCOO]- 266.05429 145.9
[M+CH3COO]- 280.06994 188.8
[M+Na-2H]- 242.03076 134.2
[M]+ 221.05554 122.8
[M]- 221.05664 122.8
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.