CID 53418121

4-hydroxy-2-nitrobenzonitrile

Structural Information

Molecular Formula
C7H4N2O3
SMILES
C1=CC(=C(C=C1O)[N+](=O)[O-])C#N
InChI
InChI=1S/C7H4N2O3/c8-4-5-1-2-6(10)3-7(5)9(11)12/h1-3,10H
InChIKey
LQRAMXMRWNDIMB-UHFFFAOYSA-N
Compound name
4-hydroxy-2-nitrobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

164.02219 Da
Monoisotopic Mass

1.0
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

No literature data available for this compound.

Patent stripe

patents stripe