CID 93567

4,4'-azoxytoluene

Structural Information

Molecular Formula
C14H14N2O
SMILES
CC1=CC=C(C=C1)N=[N+](C2=CC=C(C=C2)C)[O-]
InChI
InChI=1S/C14H14N2O/c1-11-3-7-13(8-4-11)15-16(17)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey
SDCOJRCIBWCATN-UHFFFAOYSA-N
Compound name
(4-methylphenyl)-(4-methylphenyl)imino-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

226.11061 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11789 150.0
[M+Na]+ 249.09983 156.7
[M-H]- 225.10333 158.2
[M+NH4]+ 244.14443 167.8
[M+K]+ 265.07377 149.5
[M+H-H2O]+ 209.10787 146.8
[M+HCOO]- 271.10881 177.8
[M+CH3COO]- 285.12446 190.6
[M+Na-2H]- 247.08528 158.1
[M]+ 226.11006 148.5
[M]- 226.11116 148.5
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