CID 3016836

1-azido-4-iodobenzene

Structural Information

Molecular Formula
C6H4IN3
SMILES
C1=CC(=CC=C1N=[N+]=[N-])I
InChI
InChI=1S/C6H4IN3/c7-5-1-3-6(4-2-5)9-10-8/h1-4H
InChIKey
FJOKWWVZXVTOIR-UHFFFAOYSA-N
Compound name
1-azido-4-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

137
Patents

244.94499 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.95227 138.8
[M+Na]+ 267.93421 139.6
[M-H]- 243.93771 138.3
[M+NH4]+ 262.97881 155.5
[M+K]+ 283.90815 139.9
[M+H-H2O]+ 227.94225 133.0
[M+HCOO]- 289.94319 165.0
[M+CH3COO]- 303.95884 185.2
[M+Na-2H]- 265.91966 137.6
[M]+ 244.94444 133.6
[M]- 244.94554 133.6
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