CID 138991260

2375371-69-8

Structural Information

Molecular Formula
C7H13BF3
SMILES
[B-]([C@@H]1C[C@H]1C(C)(C)C)(F)(F)F
InChI
InChI=1S/C7H13BF3/c1-7(2,3)5-4-6(5)8(9,10)11/h5-6H,4H2,1-3H3/q-1/t5-,6-/m1/s1
InChIKey
KFECPCVBISKFLS-PHDIDXHHSA-N
Compound name
[(1R,2R)-2-tert-butylcyclopropyl]-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.10625 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.11353 126.0
[M+Na]+ 188.09547 135.7
[M-H]- 164.09897 125.7
[M+NH4]+ 183.14007 141.9
[M+K]+ 204.06941 133.6
[M+H-H2O]+ 148.10351 121.2
[M+HCOO]- 210.10445 143.0
[M+CH3COO]- 224.12010 181.3
[M+Na-2H]- 186.08092 131.4
[M]+ 165.10570 122.7
[M]- 165.10680 122.7
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.