CID 78582

Einecs 225-473-2

Structural Information

Molecular Formula
C12H9ClN2O3
SMILES
C1=CC(=C(C=C1O)O)N=NC2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C12H9ClN2O3/c13-7-1-4-11(17)10(5-7)15-14-9-3-2-8(16)6-12(9)18/h1-6,16-18H
InChIKey
HXIZKRMUCMXEQN-UHFFFAOYSA-N
Compound name
4-[(5-chloro-2-hydroxyphenyl)diazenyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 154.1
[M+Na]+ 287.01940 164.0
[M-H]- 263.02290 160.6
[M+NH4]+ 282.06400 170.8
[M+K]+ 302.99334 159.2
[M+H-H2O]+ 247.02744 147.8
[M+HCOO]- 309.02838 176.0
[M+CH3COO]- 323.04403 196.8
[M+Na-2H]- 285.00485 160.2
[M]+ 264.02963 156.6
[M]- 264.03073 156.6
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

patents stripe