CID 118377

33006-91-6

Structural Information

Molecular Formula
C11H10ClN5
SMILES
C1=CC(=C(C=C1N)N)N=NC2=NC=C(C=C2)Cl
InChI
InChI=1S/C11H10ClN5/c12-7-1-4-11(15-6-7)17-16-10-3-2-8(13)5-9(10)14/h1-6H,13-14H2
InChIKey
WLNTVTDTBKPTCA-UHFFFAOYSA-N
Compound name
4-[(5-chloropyridin-2-yl)diazenyl]benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

46
Patents

247.06247 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.06975 154.1
[M+Na]+ 270.05169 163.4
[M-H]- 246.05519 161.8
[M+NH4]+ 265.09629 170.8
[M+K]+ 286.02563 158.6
[M+H-H2O]+ 230.05973 145.7
[M+HCOO]- 292.06067 179.5
[M+CH3COO]- 306.07632 205.1
[M+Na-2H]- 268.03714 161.4
[M]+ 247.06192 154.2
[M]- 247.06302 154.2
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