CID 4021315

2-azidobenzonitrile

Structural Information

Molecular Formula
C7H4N4
SMILES
C1=CC=C(C(=C1)C#N)N=[N+]=[N-]
InChI
InChI=1S/C7H4N4/c8-5-6-3-1-2-4-7(6)10-11-9/h1-4H
InChIKey
NQFPTNJYJWFZIR-UHFFFAOYSA-N
Compound name
2-azidobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

34
Patents

144.0436 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.05088 134.1
[M+Na]+ 167.03282 147.1
[M+NH4]+ 162.07742 140.0
[M+K]+ 183.00676 138.3
[M-H]- 143.03632 132.5
[M+Na-2H]- 165.01827 140.1
[M]+ 144.04305 134.6
[M]- 144.04415 134.6
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