CID 43154614

1-azido-3-iodobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

244.94499 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.952266 138.8
[M+Na]+ 267.934208 139.6
[M-H]- 243.937714 138.3
[M+NH4]+ 262.978813 155.5
[M+K]+ 283.908148 139.9
[M+H-H2O]+ 227.942250 133.0
[M+HCOO]- 289.943191 165.0
[M+CH3COO]- 303.958841 185.2
[M+Na-2H]- 265.919656 137.6
[M]+ 244.94444142 133.6
[M]- 244.94553858 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