CID 112810

62134-44-5

Structural Information

Molecular Formula
C16H13ClN4O4S
SMILES
C1=CC(=C(C2=C(C=C(C=C21)S(=O)(=O)O)O)N=NC3=C(C=C(C=C3)N)Cl)N
InChI
InChI=1S/C16H13ClN4O4S/c17-11-6-9(18)2-4-13(11)20-21-16-12(19)3-1-8-5-10(26(23,24)25)7-14(22)15(8)16/h1-7,22H,18-19H2,(H,23,24,25)
InChIKey
VQMHQKOMAFYCNR-UHFFFAOYSA-N
Compound name
6-amino-5-[(4-amino-2-chlorophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.0346 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.04188 186.1
[M+Na]+ 415.02382 197.9
[M+NH4]+ 410.06842 192.4
[M+K]+ 430.99776 190.5
[M-H]- 391.02732 191.0
[M+Na-2H]- 413.00927 192.7
[M]+ 392.03405 189.7
[M]- 392.03515 189.7
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.