CID 137942710

Rac-potassium trifluoro[(1r,2r)-2-(trifluoromethyl)cyclopropyl]boranuide

Structural Information

Molecular Formula
C4H4BF6
SMILES
[B-]([C@@H]1C[C@H]1C(F)(F)F)(F)(F)F
InChI
InChI=1S/C4H4BF6/c6-4(7,8)2-1-3(2)5(9,10)11/h2-3H,1H2/q-1/t2-,3-/m1/s1
InChIKey
GPEHOPLVMSOPBA-PWNYCUMCSA-N
Compound name
trifluoro-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.03102 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.03830 116.9
[M+Na]+ 200.02024 127.5
[M-H]- 176.02374 113.0
[M+NH4]+ 195.06484 131.7
[M+K]+ 215.99418 124.8
[M+H-H2O]+ 160.02828 109.4
[M+HCOO]- 222.02922 131.6
[M+CH3COO]- 236.04487 181.1
[M+Na-2H]- 198.00569 122.2
[M]+ 177.03047 108.6
[M]- 177.03157 108.6
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.