CID 175218

72845-90-0

Structural Information

Molecular Formula
C12H7ClN5O2
SMILES
C1=CC(=CC=C1N=NC2=CC(=C(C=C2)[N+]#N)Cl)[N+](=O)[O-]
InChI
InChI=1S/C12H7ClN5O2/c13-11-7-9(3-6-12(11)15-14)17-16-8-1-4-10(5-2-8)18(19)20/h1-7H/q+1
InChIKey
AXRABTSOEPHSNY-UHFFFAOYSA-N
Compound name
2-chloro-4-[(4-nitrophenyl)diazenyl]benzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.02884 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.03612 174.6
[M+Na]+ 311.01806 183.4
[M-H]- 287.02156 182.5
[M+NH4]+ 306.06266 188.0
[M+K]+ 326.99200 170.8
[M+H-H2O]+ 271.02610 166.2
[M+HCOO]- 333.02704 197.3
[M+CH3COO]- 347.04269 210.5
[M+Na-2H]- 309.00351 183.1
[M]+ 288.02829 170.3
[M]- 288.02939 170.3
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.