CID 106109

67906-54-1

Structural Information

Molecular Formula
C14H13ClN4O4S
SMILES
CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)S(=O)(=O)O)OC)N=NCl
InChI
InChI=1S/C14H13ClN4O4S/c1-9-7-13(18-19-15)14(23-2)8-12(9)17-16-10-3-5-11(6-4-10)24(20,21)22/h3-8H,1-2H3,(H,20,21,22)
InChIKey
AZPGMBMWDRHSAG-UHFFFAOYSA-N
Compound name
4-[[4-(chlorodiazenyl)-5-methoxy-2-methylphenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.0346 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.04188 182.1
[M+Na]+ 391.02382 193.8
[M+NH4]+ 386.06842 188.4
[M+K]+ 406.99776 185.5
[M-H]- 367.02732 187.2
[M+Na-2H]- 389.00927 190.3
[M]+ 368.03405 185.7
[M]- 368.03515 185.7
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.