CID 76758

4-hydroxy-3-nitrobenzonitrile

Structural Information

Molecular Formula
C7H4N2O3
SMILES
C1=CC(=C(C=C1C#N)[N+](=O)[O-])O
InChI
InChI=1S/C7H4N2O3/c8-4-5-1-2-7(10)6(3-5)9(11)12/h1-3,10H
InChIKey
INBLGVOPOSGVTA-UHFFFAOYSA-N
Compound name
4-hydroxy-3-nitrobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

541
Patents

164.02219 Da
Monoisotopic Mass

1.6
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