CID 71758699

(6-nitropyridin-3-yl)boronic acid

Structural Information

Molecular Formula
C5H5BN2O4
SMILES
B(C1=CN=C(C=C1)[N+](=O)[O-])(O)O
InChI
InChI=1S/C5H5BN2O4/c9-6(10)4-1-2-5(7-3-4)8(11)12/h1-3,9-10H
InChIKey
IPWHYFYZQVHGTQ-UHFFFAOYSA-N
Compound name
(6-nitropyridin-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

168.03424 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04152 127.1
[M+Na]+ 191.02346 134.4
[M-H]- 167.02696 127.4
[M+NH4]+ 186.06806 144.0
[M+K]+ 206.99740 129.1
[M+H-H2O]+ 151.03150 125.8
[M+HCOO]- 213.03244 149.2
[M+CH3COO]- 227.04809 166.0
[M+Na-2H]- 189.00891 135.6
[M]+ 168.03369 124.1
[M]- 168.03479 124.1
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