CID 22119

Schembl92165

Structural Information

Molecular Formula
C17H13ClN2O4S
SMILES
CC1=CC(=C(C=C1Cl)N=NC2=C(C=CC3=CC=CC=C32)O)S(=O)(=O)O
InChI
InChI=1S/C17H13ClN2O4S/c1-10-8-16(25(22,23)24)14(9-13(10)18)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21/h2-9,21H,1H3,(H,22,23,24)
InChIKey
JUUQHENXZBKKIF-UHFFFAOYSA-N
Compound name
4-chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-methylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

33
Patents

376.02844 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.035716 182.0
[M+Na]+ 399.017658 192.6
[M-H]- 375.021164 190.6
[M+NH4]+ 394.062263 196.2
[M+K]+ 414.991598 186.6
[M+H-H2O]+ 359.025700 175.2
[M+HCOO]- 421.026641 197.1
[M+CH3COO]- 435.042291 218.1
[M+Na-2H]- 397.003106 187.8
[M]+ 376.02789142 189.1
[M]- 376.02898858 189.1
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