CID 286148

2-hydroxy-4-nitrobenzonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

207
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 135.7
[M+Na]+ 187.01141 145.9
[M-H]- 163.01491 138.3
[M+NH4]+ 182.05601 153.0
[M+K]+ 202.98535 139.9
[M+H-H2O]+ 147.01945 128.1
[M+HCOO]- 209.02039 156.9
[M+CH3COO]- 223.03604 182.8
[M+Na-2H]- 184.99686 142.7
[M]+ 164.02164 129.0
[M]- 164.02274 129.0
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