CID 113371

Einecs 264-350-8

Structural Information

Molecular Formula
C9H7ClN4
SMILES
C1=CC(=CC=C1N=NC2=NC=CN2)Cl
InChI
InChI=1S/C9H7ClN4/c10-7-1-3-8(4-2-7)13-14-9-11-5-6-12-9/h1-6H,(H,11,12)
InChIKey
MLYDUQPPEMTRAU-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(1H-imidazol-2-yl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

206.03592 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.04320 141.1
[M+Na]+ 229.02514 150.5
[M-H]- 205.02864 146.7
[M+NH4]+ 224.06974 159.9
[M+K]+ 244.99908 146.0
[M+H-H2O]+ 189.03318 132.5
[M+HCOO]- 251.03412 164.3
[M+CH3COO]- 265.04977 154.7
[M+Na-2H]- 227.01059 149.3
[M]+ 206.03537 142.2
[M]- 206.03647 142.2
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