CID 2773493

4-methoxycarbonyl-2-nitrophenylboronic acid

Structural Information

Molecular Formula
C8H8BNO6
SMILES
B(C1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-])(O)O
InChI
InChI=1S/C8H8BNO6/c1-16-8(11)5-2-3-6(9(12)13)7(4-5)10(14)15/h2-4,12-13H,1H3
InChIKey
SFEJGHJCGQNFQC-UHFFFAOYSA-N
Compound name
(4-methoxycarbonyl-2-nitrophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

225.04446 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.05174 142.8
[M+Na]+ 248.03368 153.4
[M+NH4]+ 243.07828 148.2
[M+K]+ 264.00762 153.7
[M-H]- 224.03718 142.9
[M+Na-2H]- 246.01913 146.1
[M]+ 225.04391 143.8
[M]- 225.04501 143.8
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