CID 11116377

2-hydroxy-5-nitrobenzonitrile

Structural Information

Molecular Formula
C7H4N2O3
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])C#N)O
InChI
InChI=1S/C7H4N2O3/c8-4-5-3-6(9(11)12)1-2-7(5)10/h1-3,10H
InChIKey
MPQNPFJBRPRBFF-UHFFFAOYSA-N
Compound name
2-hydroxy-5-nitrobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

84
Patents

164.02219 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.02947 131.7
[M+Na]+ 187.01141 144.2
[M+NH4]+ 182.05601 136.2
[M+K]+ 202.98535 138.3
[M-H]- 163.01491 127.0
[M+Na-2H]- 184.99686 135.3
[M]+ 164.02164 131.1
[M]- 164.02274 131.1
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

patents stripe