CID 155820600

2-(4-bromo-3,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C12H14BBrF2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)F)Br)F
InChI
InChI=1S/C12H14BBrF2O2/c1-11(2)12(3,4)18-13(17-11)7-5-8(15)10(14)9(16)6-7/h5-6H,1-4H3
InChIKey
ZILXGVKHSJXRGK-UHFFFAOYSA-N
Compound name
2-(4-bromo-3,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.02383 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.03111 158.8
[M+Na]+ 341.01305 173.3
[M-H]- 317.01655 168.0
[M+NH4]+ 336.05765 181.0
[M+K]+ 356.98699 164.4
[M+H-H2O]+ 301.02109 159.5
[M+HCOO]- 363.02203 175.8
[M+CH3COO]- 377.03768 202.8
[M+Na-2H]- 338.99850 163.9
[M]+ 318.02328 178.8
[M]- 318.02438 178.8
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.