CID 75487380

2-(2,4-dimethyl-5-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C14H20BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2C)C)[N+](=O)[O-]
InChI
InChI=1S/C14H20BNO4/c1-9-7-10(2)12(16(17)18)8-11(9)15-19-13(3,4)14(5,6)20-15/h7-8H,1-6H3
InChIKey
OEUCZMLHPXEZSU-UHFFFAOYSA-N
Compound name
2-(2,4-dimethyl-5-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

277.14853 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.155806 157.5
[M+Na]+ 300.137748 166.7
[M-H]- 276.141254 166.7
[M+NH4]+ 295.182353 176.9
[M+K]+ 316.111688 163.1
[M+H-H2O]+ 260.145790 158.2
[M+HCOO]- 322.146731 179.2
[M+CH3COO]- 336.162381 196.0
[M+Na-2H]- 298.123196 164.2
[M]+ 277.14798142 160.7
[M]- 277.14907858 160.7
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