CID 170808

49744-39-0

Structural Information

Molecular Formula
C12H6Cl2N4
SMILES
C1=CC(=C(C=C1C2=CC(=C(C=C2)[N+]#N)Cl)Cl)[N+]#N
InChI
InChI=1S/C12H6Cl2N4/c13-9-5-7(1-3-11(9)17-15)8-2-4-12(18-16)10(14)6-8/h1-6H/q+2
InChIKey
WMHQYOUDQLVEOK-UHFFFAOYSA-N
Compound name
2-chloro-4-(3-chloro-4-diazoniophenyl)benzenediazonium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

275.99695 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.00423 176.1
[M+Na]+ 298.98617 187.8
[M-H]- 274.98967 181.6
[M+NH4]+ 294.03077 187.2
[M+K]+ 314.96011 174.5
[M+H-H2O]+ 258.99421 164.8
[M+HCOO]- 320.99515 185.3
[M+CH3COO]- 335.01080 221.9
[M+Na-2H]- 296.97162 179.9
[M]+ 275.99640 169.6
[M]- 275.99750 169.6
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

patents stripe