CID 162422466

2-(2,2-difluorocyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C10H17BF2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CCC2(F)F
InChI
InChI=1S/C10H17BF2O2/c1-8(2)9(3,4)15-11(14-8)7-5-6-10(7,12)13/h7H,5-6H2,1-4H3
InChIKey
ZCWNMYWWBJVHDE-UHFFFAOYSA-N
Compound name
2-(2,2-difluorocyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.12897 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13625 136.4
[M+Na]+ 241.11819 144.7
[M-H]- 217.12169 142.8
[M+NH4]+ 236.16279 154.2
[M+K]+ 257.09213 148.0
[M+H-H2O]+ 201.12623 129.5
[M+HCOO]- 263.12717 153.1
[M+CH3COO]- 277.14282 191.1
[M+Na-2H]- 239.10364 142.2
[M]+ 218.12842 144.7
[M]- 218.12952 144.7
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.