CID 137951538

Methyl 2,2-difluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate

Structural Information

Molecular Formula
C10H17BF2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)CC(C(=O)OC)(F)F
InChI
InChI=1S/C10H17BF2O4/c1-8(2)9(3,4)17-11(16-8)6-10(12,13)7(14)15-5/h6H2,1-5H3
InChIKey
RIBUWSXGSVYGHS-UHFFFAOYSA-N
Compound name
methyl 2,2-difluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.11879 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12607 146.1
[M+Na]+ 273.10801 154.9
[M-H]- 249.11151 148.8
[M+NH4]+ 268.15261 167.0
[M+K]+ 289.08195 157.1
[M+H-H2O]+ 233.11605 142.6
[M+HCOO]- 295.11699 162.6
[M+CH3COO]- 309.13264 192.6
[M+Na-2H]- 271.09346 152.2
[M]+ 250.11824 149.0
[M]- 250.11934 149.0
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.