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]+ 219.136246 136.4
[M+Na]+ 241.118188 144.7
[M-H]- 217.121694 142.8
[M+NH4]+ 236.162793 154.2
[M+K]+ 257.092128 148.0
[M+H-H2O]+ 201.126230 129.5
[M+HCOO]- 263.127171 153.1
[M+CH3COO]- 277.142821 191.1
[M+Na-2H]- 239.103636 142.2
[M]+ 218.12842142 144.7
[M]- 218.12951858 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.