CID 138106150

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

Structural Information

Molecular Formula
C10H17BF2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CC(C2)(F)F
InChI
InChI=1S/C10H17BF2O2/c1-8(2)9(3,4)15-11(14-8)7-5-10(12,13)6-7/h7H,5-6H2,1-4H3
InChIKey
HLEWVHJFQCEWNE-UHFFFAOYSA-N
Compound name
2-(3,3-difluorocyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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

literature stripe

Patent stripe

patents stripe