CID 110076

68368-36-5

Structural Information

Molecular Formula
C17H12Cl2N2O4S
SMILES
CC1=C(C=C(C(=C1Cl)N=NC2=C(C=CC3=CC=CC=C32)O)S(=O)(=O)O)Cl
InChI
InChI=1S/C17H12Cl2N2O4S/c1-9-12(18)8-14(26(23,24)25)17(15(9)19)21-20-16-11-5-3-2-4-10(11)6-7-13(16)22/h2-8,22H,1H3,(H,23,24,25)
InChIKey
YDHWIRUDNQZCRF-UHFFFAOYSA-N
Compound name
3,5-dichloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.98947 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.99675 191.0
[M+Na]+ 432.97869 206.3
[M+NH4]+ 428.02329 198.5
[M+K]+ 448.95263 196.4
[M-H]- 408.98219 195.5
[M+Na-2H]- 430.96414 198.4
[M]+ 409.98892 195.6
[M]- 409.99002 195.6
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

No patent data available for this compound.