CID 3090034

1-(4-(4-(4-chloro-benzenesulfonyl)-phenoxy)-phenylazo)-naphthalen-2-ol

Structural Information

Molecular Formula
C28H19ClN2O4S
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)OC4=CC=C(C=C4)S(=O)(=O)C5=CC=C(C=C5)Cl)O
InChI
InChI=1S/C28H19ClN2O4S/c29-20-6-14-24(15-7-20)36(33,34)25-16-12-23(13-17-25)35-22-10-8-21(9-11-22)30-31-28-26-4-2-1-3-19(26)5-18-27(28)32/h1-18,32H
InChIKey
HGQDGYLSFOXAFW-UHFFFAOYSA-N
Compound name
1-[[4-[4-(4-chlorophenyl)sulfonylphenoxy]phenyl]diazenyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.0754 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.08268 221.8
[M+Na]+ 537.06462 230.3
[M-H]- 513.06812 236.2
[M+NH4]+ 532.10922 229.4
[M+K]+ 553.03856 223.2
[M+H-H2O]+ 497.07266 210.4
[M+HCOO]- 559.07360 236.9
[M+CH3COO]- 573.08925 230.4
[M+Na-2H]- 535.05007 227.4
[M]+ 514.07485 228.7
[M]- 514.07595 228.7
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.