CID 106109

Einecs 267-721-2

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 181.7
[M+Na]+ 391.02382 191.1
[M-H]- 367.02732 193.3
[M+NH4]+ 386.06842 196.3
[M+K]+ 406.99776 187.4
[M+H-H2O]+ 351.03186 173.2
[M+HCOO]- 413.03280 204.3
[M+CH3COO]- 427.04845 226.0
[M+Na-2H]- 389.00927 187.9
[M]+ 368.03405 191.2
[M]- 368.03515 191.2
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.