CID 44717611

942069-51-4

Structural Information

Molecular Formula
C12H15BBrFO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)Br)F
InChI
InChI=1S/C12H15BBrFO2/c1-11(2)12(3,4)17-13(16-11)9-7-8(14)5-6-10(9)15/h5-7H,1-4H3
InChIKey
PTGJNHQCYVUKPZ-UHFFFAOYSA-N
Compound name
2-(5-bromo-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

300.03326 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.04054 155.5
[M+Na]+ 323.02248 169.2
[M-H]- 299.02598 165.8
[M+NH4]+ 318.06708 178.3
[M+K]+ 338.99642 160.8
[M+H-H2O]+ 283.03052 157.0
[M+HCOO]- 345.03146 173.6
[M+CH3COO]- 359.04711 199.1
[M+Na-2H]- 321.00793 161.9
[M]+ 300.03271 176.3
[M]- 300.03381 176.3
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

patents stripe