CID 176584285

[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol

Structural Information

Molecular Formula
C13H18BNO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)CO)[N+](=O)[O-]
InChI
InChI=1S/C13H18BNO5/c1-12(2)13(3,4)20-14(19-12)10-6-5-9(8-16)11(7-10)15(17)18/h5-7,16H,8H2,1-4H3
InChIKey
UZDOKOYSYPDACW-UHFFFAOYSA-N
Compound name
[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1278 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.135076 157.9
[M+Na]+ 302.117018 165.9
[M-H]- 278.120524 165.4
[M+NH4]+ 297.161623 176.0
[M+K]+ 318.090958 162.1
[M+H-H2O]+ 262.125060 158.4
[M+HCOO]- 324.126001 178.5
[M+CH3COO]- 338.141651 191.3
[M+Na-2H]- 300.102466 165.3
[M]+ 279.12725142 159.9
[M]- 279.12834858 159.9
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

No patent data available for this compound.