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 135.2
[M+Na]+ 220.03877 142.3
[M-H]- 196.04227 136.8
[M+NH4]+ 215.08337 152.5
[M+K]+ 236.01271 137.3
[M+H-H2O]+ 180.04681 134.4
[M+HCOO]- 242.04775 158.0
[M+CH3COO]- 256.06340 172.7
[M+Na-2H]- 218.02422 141.8
[M]+ 197.04900 134.2
[M]- 197.05010 134.2
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.