CID 5006651

4-chloro-3-nitrophenylboronic acid

Structural Information

Molecular Formula
C6H5BClNO4
SMILES
B(C1=CC(=C(C=C1)Cl)[N+](=O)[O-])(O)O
InChI
InChI=1S/C6H5BClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3,10-11H
InChIKey
LQCCRPUZTXKDGB-UHFFFAOYSA-N
Compound name
(4-chloro-3-nitrophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

201.00002 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.00730 133.8
[M+Na]+ 223.98924 147.0
[M+NH4]+ 219.03384 141.5
[M+K]+ 239.96318 145.0
[M-H]- 199.99274 135.5
[M+Na-2H]- 221.97469 139.2
[M]+ 200.99947 136.2
[M]- 201.00057 136.2
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