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

7
Patents

160.03851 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.04579 136.5
[M+Na]+ 183.02773 146.2
[M-H]- 159.03123 141.1
[M+NH4]+ 178.07233 154.5
[M+K]+ 199.00167 140.0
[M+H-H2O]+ 143.03577 127.8
[M+HCOO]- 205.03671 162.3
[M+CH3COO]- 219.05236 190.6
[M+Na-2H]- 181.01318 145.5
[M]+ 160.03796 128.9
[M]- 160.03906 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