CID 155822402

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

Structural Information

Molecular Formula
C14H20BNO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C(C=C2)OC)[N+](=O)[O-])C
InChI
InChI=1S/C14H20BNO5/c1-9-10(7-8-11(19-6)12(9)16(17)18)15-20-13(2,3)14(4,5)21-15/h7-8H,1-6H3
InChIKey
WEQDRQNIIILNSJ-UHFFFAOYSA-N
Compound name
2-(4-methoxy-2-methyl-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.14346 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.15074 160.8
[M+Na]+ 316.13268 169.7
[M-H]- 292.13618 169.9
[M+NH4]+ 311.17728 179.3
[M+K]+ 332.10662 166.6
[M+H-H2O]+ 276.14072 161.3
[M+HCOO]- 338.14166 182.5
[M+CH3COO]- 352.15731 198.2
[M+Na-2H]- 314.11813 167.7
[M]+ 293.14291 165.3
[M]- 293.14401 165.3
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

No patent data available for this compound.