CID 154814236

2-[3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C13H21BF2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C23CC(C2)(C3)C(C)(F)F
InChI
InChI=1S/C13H21BF2O2/c1-9(2)10(3,4)18-14(17-9)13-6-12(7-13,8-13)11(5,15)16/h6-8H2,1-5H3
InChIKey
QOEKABQDVJZCCO-UHFFFAOYSA-N
Compound name
2-[3-(1,1-difluoroethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.16028 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16756 165.9
[M+Na]+ 281.14950 170.8
[M-H]- 257.15300 171.3
[M+NH4]+ 276.19410 172.7
[M+K]+ 297.12344 175.9
[M+H-H2O]+ 241.15754 156.8
[M+HCOO]- 303.15848 173.7
[M+CH3COO]- 317.17413 220.4
[M+Na-2H]- 279.13495 171.8
[M]+ 258.15973 190.6
[M]- 258.16083 190.6
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.