CID 129985039

4-azido-2-hydroxybenzonitrile

Structural Information

Molecular Formula
C7H4N4O
SMILES
C1=CC(=C(C=C1N=[N+]=[N-])O)C#N
InChI
InChI=1S/C7H4N4O/c8-4-5-1-2-6(10-11-9)3-7(5)12/h1-3,12H
InChIKey
PECAJUQZOCEODF-UHFFFAOYSA-N
Compound name
4-azido-2-hydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

160.03851 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.045786 136.5
[M+Na]+ 183.027728 146.2
[M-H]- 159.031234 141.1
[M+NH4]+ 178.072333 154.5
[M+K]+ 199.001668 140.0
[M+H-H2O]+ 143.035770 127.8
[M+HCOO]- 205.036711 162.3
[M+CH3COO]- 219.052361 190.6
[M+Na-2H]- 181.013176 145.5
[M]+ 160.03796142 128.9
[M]- 160.03905858 128.9
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