CID 155920958

2-(2,2-difluoro-1-methylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C10H17BF2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2(CC2(F)F)C
InChI
InChI=1S/C10H17BF2O2/c1-7(2)8(3,4)15-11(14-7)9(5)6-10(9,12)13/h6H2,1-5H3
InChIKey
OXPOFFWYVRCVIW-UHFFFAOYSA-N
Compound name
2-(2,2-difluoro-1-methylcyclopropyl)-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 131.8
[M+Na]+ 241.118188 143.9
[M-H]- 217.121694 139.5
[M+NH4]+ 236.162793 152.9
[M+K]+ 257.092128 146.9
[M+H-H2O]+ 201.126230 129.5
[M+HCOO]- 263.127171 148.5
[M+CH3COO]- 277.142821 191.5
[M+Na-2H]- 239.103636 140.2
[M]+ 218.12842142 136.9
[M]- 218.12951858 136.9
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.