CID 135404235

4,4'-dihydroxyazoxybenzene

Structural Information

Molecular Formula
C12H10N2O3
SMILES
C1=CC(=CC=C1N=[N+](C2=CC=C(C=C2)O)[O-])O
InChI
InChI=1S/C12H10N2O3/c15-11-5-1-9(2-6-11)13-14(17)10-3-7-12(16)8-4-10/h1-8,15-16H
InChIKey
VCVDNSCCCADAHZ-UHFFFAOYSA-N
Compound name
(4-hydroxyphenyl)-(4-hydroxyphenyl)imino-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

230.06914 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07642 146.4
[M+Na]+ 253.05836 152.7
[M-H]- 229.06186 152.2
[M+NH4]+ 248.10296 162.3
[M+K]+ 269.03230 145.3
[M+H-H2O]+ 213.06640 143.6
[M+HCOO]- 275.06734 172.2
[M+CH3COO]- 289.08299 183.2
[M+Na-2H]- 251.04381 155.0
[M]+ 230.06859 143.2
[M]- 230.06969 143.2
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