CID 73555027

677746-34-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

279.1278 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13508 157.3
[M+Na]+ 302.11702 165.8
[M-H]- 278.12052 166.2
[M+NH4]+ 297.16162 176.1
[M+K]+ 318.09096 162.9
[M+H-H2O]+ 262.12506 157.6
[M+HCOO]- 324.12600 179.4
[M+CH3COO]- 338.14165 193.9
[M+Na-2H]- 300.10247 165.2
[M]+ 279.12725 161.1
[M]- 279.12835 161.1
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