CID 11804883

3-azidobenzonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
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 133.4
[M+Na]+ 167.03282 142.7
[M-H]- 143.03632 138.8
[M+NH4]+ 162.07742 152.3
[M+K]+ 183.00676 136.7
[M+H-H2O]+ 127.04086 124.3
[M+HCOO]- 189.04180 160.3
[M+CH3COO]- 203.05745 190.5
[M+Na-2H]- 165.01827 143.3
[M]+ 144.04305 125.9
[M]- 144.04415 125.9
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