CID 56776868

2096334-00-6

Structural Information

Molecular Formula
C13H17BBrFO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2F)Br)C
InChI
InChI=1S/C13H17BBrFO2/c1-8-6-9(11(16)7-10(8)15)14-17-12(2,3)13(4,5)18-14/h6-7H,1-5H3
InChIKey
KCPRDDSQYLXYGE-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-fluoro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.0489 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.05618 158.7
[M+Na]+ 337.03812 172.8
[M-H]- 313.04162 169.1
[M+NH4]+ 332.08272 181.3
[M+K]+ 353.01206 164.2
[M+H-H2O]+ 297.04616 160.3
[M+HCOO]- 359.04710 176.5
[M+CH3COO]- 373.06275 203.0
[M+Na-2H]- 335.02357 164.1
[M]+ 314.04835 180.2
[M]- 314.04945 180.2
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.