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 143.8
[M-H]- 259.96902 142.9
[M+NH4]+ 279.01012 159.9
[M+K]+ 299.93946 148.9
[M+H-H2O]+ 243.97356 132.8
[M+HCOO]- 305.97450 168.8
[M+CH3COO]- 319.99015 195.8
[M+Na-2H]- 281.95097 140.4
[M]+ 260.97575 141.1
[M]- 260.97685 141.1
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.