CID 199055

3656-07-3

Structural Information

Molecular Formula
C11H11ClN4
SMILES
CC1=C(C(=NN1)C)N=NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H11ClN4/c1-7-11(8(2)14-13-7)16-15-10-5-3-9(12)4-6-10/h3-6H,1-2H3,(H,13,14)
InChIKey
LSJDQTFONKIVSI-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(3,5-dimethyl-1H-pyrazol-4-yl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.06723 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07451 150.2
[M+Na]+ 257.05645 164.2
[M+NH4]+ 252.10105 158.6
[M+K]+ 273.03039 158.1
[M-H]- 233.05995 154.6
[M+Na-2H]- 255.04190 159.1
[M]+ 234.06668 153.6
[M]- 234.06778 153.6
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.