CID 13953241

4-chloro-4'-methoxy-2-nitroazobenzene

Structural Information

Molecular Formula
C13H10ClN3O3
SMILES
COC1=CC=C(C=C1)N=NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C13H10ClN3O3/c1-20-11-5-3-10(4-6-11)15-16-12-7-2-9(14)8-13(12)17(18)19/h2-8H,1H3
InChIKey
YVBBYHMLWXNHCI-UHFFFAOYSA-N
Compound name
(4-chloro-2-nitrophenyl)-(4-methoxyphenyl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.04108 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.048356 163.4
[M+Na]+ 314.030298 171.2
[M-H]- 290.033804 172.8
[M+NH4]+ 309.074903 179.4
[M+K]+ 330.004238 164.0
[M+H-H2O]+ 274.038340 160.1
[M+HCOO]- 336.039281 189.6
[M+CH3COO]- 350.054931 203.1
[M+Na-2H]- 312.015746 171.6
[M]+ 291.04053142 167.1
[M]- 291.04162858 167.1
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.