CID 79972

5858-88-8

Structural Information

Molecular Formula
C16H11ClN2O4S
SMILES
C1=CC=C(C(=C1)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O)Cl
InChI
InChI=1S/C16H11ClN2O4S/c17-13-3-1-2-4-14(13)18-19-16-12-7-6-11(24(21,22)23)9-10(12)5-8-15(16)20/h1-9,20H,(H,21,22,23)
InChIKey
VCNCMBFHYUOYJG-UHFFFAOYSA-N
Compound name
5-[(2-chlorophenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

362.01282 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.02010 177.2
[M+Na]+ 385.00204 187.4
[M-H]- 361.00554 185.6
[M+NH4]+ 380.04664 191.7
[M+K]+ 400.97598 181.5
[M+H-H2O]+ 345.01008 170.4
[M+HCOO]- 407.01102 192.7
[M+CH3COO]- 421.02667 213.8
[M+Na-2H]- 382.98749 184.1
[M]+ 362.01227 183.5
[M]- 362.01337 183.5
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

No patent data available for this compound.