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

5
Patents

277.14853 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.15581 157.5
[M+Na]+ 300.13775 166.7
[M-H]- 276.14125 166.7
[M+NH4]+ 295.18235 176.9
[M+K]+ 316.11169 163.1
[M+H-H2O]+ 260.14579 158.2
[M+HCOO]- 322.14673 179.2
[M+CH3COO]- 336.16238 196.0
[M+Na-2H]- 298.12320 164.2
[M]+ 277.14798 160.7
[M]- 277.14908 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