CID 3017128

58989-42-7

Structural Information

Molecular Formula
C16H11Cl2N3O7S2
SMILES
C1=CC(=C(C2=C(C=C(C=C21)S(=O)(=O)O)O)N=NC3=CC(=C(C=C3Cl)S(=O)(=O)O)Cl)N
InChI
InChI=1S/C16H11Cl2N3O7S2/c17-9-6-14(30(26,27)28)10(18)5-12(9)20-21-16-11(19)2-1-7-3-8(29(23,24)25)4-13(22)15(7)16/h1-6,22H,19H2,(H,23,24,25)(H,26,27,28)
InChIKey
WQPASQJFWKVZQO-UHFFFAOYSA-N
Compound name
6-amino-5-[(2,5-dichloro-4-sulfophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.94156 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.94884 199.7
[M+Na]+ 513.93078 208.8
[M-H]- 489.93428 205.6
[M+NH4]+ 508.97538 208.2
[M+K]+ 529.90472 202.6
[M+H-H2O]+ 473.93882 195.2
[M+HCOO]- 535.93976 202.9
[M+CH3COO]- 549.95541 234.7
[M+Na-2H]- 511.91623 206.2
[M]+ 490.94101 207.7
[M]- 490.94211 207.7
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.