CID 110614

Einecs 271-605-7

Structural Information

Molecular Formula
C12H9ClN2O3
SMILES
C1=CC(=C(C(=C1)O)N=NC2=C(C=CC(=C2)Cl)O)O
InChI
InChI=1S/C12H9ClN2O3/c13-7-4-5-9(16)8(6-7)14-15-12-10(17)2-1-3-11(12)18/h1-6,16-18H
InChIKey
VJDNWXFHYGBXNT-UHFFFAOYSA-N
Compound name
2-[(5-chloro-2-hydroxyphenyl)diazenyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.03018 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.03746 154.9
[M+Na]+ 287.01940 169.2
[M+NH4]+ 282.06400 162.8
[M+K]+ 302.99334 162.3
[M-H]- 263.02290 159.6
[M+Na-2H]- 285.00485 163.6
[M]+ 264.02963 158.5
[M]- 264.03073 158.5
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.