CID 93223

40643-37-6

Structural Information

Molecular Formula
C7H8IN3
SMILES
CN=NNC1=CC=C(C=C1)I
InChI
InChI=1S/C7H8IN3/c1-9-11-10-7-4-2-6(8)3-5-7/h2-5H,1H3,(H,9,10)
InChIKey
NUNUQSLVNRPSQB-UHFFFAOYSA-N
Compound name
4-iodo-N-(methyldiazenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.9763 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.98358 143.5
[M+Na]+ 283.96552 147.5
[M+NH4]+ 279.01012 148.1
[M+K]+ 299.93946 143.6
[M-H]- 259.96902 141.8
[M+Na-2H]- 281.95097 139.1
[M]+ 260.97575 142.4
[M]- 260.97685 142.4
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

No patent data available for this compound.