CID 71306604

1422655-36-4

Structural Information

Molecular Formula
C14H20BBrO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(C)Br
InChI
InChI=1S/C14H20BBrO2/c1-10(16)11-6-8-12(9-7-11)15-17-13(2,3)14(4,5)18-15/h6-10H,1-5H3
InChIKey
XOUOUAVGBAZRIS-UHFFFAOYSA-N
Compound name
2-[4-(1-bromoethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

310.07397 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.08125 162.1
[M+Na]+ 333.06319 173.8
[M-H]- 309.06669 173.0
[M+NH4]+ 328.10779 184.2
[M+K]+ 349.03713 165.8
[M+H-H2O]+ 293.07123 164.1
[M+HCOO]- 355.07217 179.6
[M+CH3COO]- 369.08782 201.9
[M+Na-2H]- 331.04864 167.4
[M]+ 310.07342 183.6
[M]- 310.07452 183.6
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