CID 3699568

190788-59-1

Structural Information

Molecular Formula
C12H16BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C12H16BNO4/c1-11(2)12(3,4)18-13(17-11)9-7-5-6-8-10(9)14(15)16/h5-8H,1-4H3
InChIKey
VLJYUDGCEKORNG-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(2-nitrophenyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

249.11723 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12451 151.7
[M+Na]+ 272.10645 164.6
[M+NH4]+ 267.15105 162.4
[M+K]+ 288.08039 160.4
[M-H]- 248.10995 158.6
[M+Na-2H]- 270.09190 159.6
[M]+ 249.11668 155.8
[M]- 249.11778 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe