CID 136171114

Einecs 297-962-9

Structural Information

Molecular Formula
C16H12ClN3O4S
SMILES
C1=CC2=C(C=CC(=C2N=NC3=C(C=CC(=C3)Cl)O)O)C=C1S(=O)(=O)N
InChI
InChI=1S/C16H12ClN3O4S/c17-10-2-6-14(21)13(8-10)19-20-16-12-4-3-11(25(18,23)24)7-9(12)1-5-15(16)22/h1-8,21-22H,(H2,18,23,24)
InChIKey
FNALGURTMPGCIZ-UHFFFAOYSA-N
Compound name
5-[(5-chloro-2-hydroxyphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.0237 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.03098 181.2
[M+Na]+ 400.01292 191.3
[M-H]- 376.01642 189.3
[M+NH4]+ 395.05752 194.7
[M+K]+ 415.98686 185.3
[M+H-H2O]+ 360.02096 174.4
[M+HCOO]- 422.02190 197.0
[M+CH3COO]- 436.03755 220.0
[M+Na-2H]- 397.99837 187.3
[M]+ 377.02315 186.3
[M]- 377.02425 186.3
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.