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 159.7
[M+Na]+ 300.13775 172.8
[M+NH4]+ 295.18235 170.0
[M+K]+ 316.11169 168.7
[M-H]- 276.14125 166.6
[M+Na-2H]- 298.12320 166.7
[M]+ 277.14798 163.9
[M]- 277.14908 163.9
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