CID 26967604

3-hydroxy-5-nitrobenzonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

164.02219 Da
Monoisotopic Mass

2.2
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

No literature data available for this compound.

Patent stripe

patents stripe