CID 2773555

171364-83-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

416
Patents

249.11723 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12451 150.7
[M+Na]+ 272.10645 158.9
[M-H]- 248.10995 159.4
[M+NH4]+ 267.15105 170.5
[M+K]+ 288.08039 155.6
[M+H-H2O]+ 232.11449 150.9
[M+HCOO]- 294.11543 173.0
[M+CH3COO]- 308.13108 187.6
[M+Na-2H]- 270.09190 159.2
[M]+ 249.11668 152.3
[M]- 249.11778 152.3
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