CID 86061415

(5-methoxy-2-nitrophenyl)boronic acid

Structural Information

Molecular Formula
C7H8BNO5
SMILES
B(C1=C(C=CC(=C1)OC)[N+](=O)[O-])(O)O
InChI
InChI=1S/C7H8BNO5/c1-14-5-2-3-7(9(12)13)6(4-5)8(10)11/h2-4,10-11H,1H3
InChIKey
FEKZDSKDGQNCNX-UHFFFAOYSA-N
Compound name
(5-methoxy-2-nitrophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.04955 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05683 136.3
[M+Na]+ 220.03877 148.0
[M+NH4]+ 215.08337 143.0
[M+K]+ 236.01271 147.2
[M-H]- 196.04227 137.5
[M+Na-2H]- 218.02422 140.8
[M]+ 197.04900 137.9
[M]- 197.05010 137.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.