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 151.4
[M+Na]+ 257.05645 161.8
[M-H]- 233.05995 157.4
[M+NH4]+ 252.10105 169.7
[M+K]+ 273.03039 156.8
[M+H-H2O]+ 217.06449 143.0
[M+HCOO]- 279.06543 173.9
[M+CH3COO]- 293.08108 196.2
[M+Na-2H]- 255.04190 156.9
[M]+ 234.06668 154.0
[M]- 234.06778 154.0
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.