CID 66708672

1185019-97-9

Structural Information

Molecular Formula
C13H18BNO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)[N+](=O)[O-])OC
InChI
InChI=1S/C13H18BNO5/c1-12(2)13(3,4)20-14(19-12)10-7-6-9(15(16)17)8-11(10)18-5/h6-8H,1-5H3
InChIKey
MTJSDUJKURLGMS-UHFFFAOYSA-N
Compound name
2-(2-methoxy-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

279.1278 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13508 158.6
[M+Na]+ 302.11702 171.1
[M+NH4]+ 297.16162 168.5
[M+K]+ 318.09096 167.5
[M-H]- 278.12052 165.0
[M+Na-2H]- 300.10247 165.6
[M]+ 279.12725 162.5
[M]- 279.12835 162.5
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.