CID 130141589

2-(3-bromonaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C16H18BBrO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=CC=CC=C3C=C2Br
InChI
InChI=1S/C16H18BBrO2/c1-15(2)16(3,4)20-17(19-15)13-9-11-7-5-6-8-12(11)10-14(13)18/h5-10H,1-4H3
InChIKey
QUDVIFVJPCPVSY-UHFFFAOYSA-N
Compound name
2-(3-bromonaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.05832 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.06560 168.4
[M+Na]+ 355.04754 181.7
[M-H]- 331.05104 180.4
[M+NH4]+ 350.09214 190.8
[M+K]+ 371.02148 172.8
[M+H-H2O]+ 315.05558 169.7
[M+HCOO]- 377.05652 186.0
[M+CH3COO]- 391.07217 183.6
[M+Na-2H]- 353.03299 175.1
[M]+ 332.05777 190.3
[M]- 332.05887 190.3
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

No patent data available for this compound.