CID 105919

67875-11-0

Structural Information

Molecular Formula
C22H16ClN3O3S
SMILES
C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=CC(=CC=C4)Cl)C=CC=C3S(=O)(=O)O
InChI
InChI=1S/C22H16ClN3O3S/c23-15-6-4-9-17(14-15)25-26-19-12-13-20(24-16-7-2-1-3-8-16)22-18(19)10-5-11-21(22)30(27,28)29/h1-14,24H,(H,27,28,29)
InChIKey
QKOHKTFEQWEEFF-UHFFFAOYSA-N
Compound name
8-anilino-5-[(3-chlorophenyl)diazenyl]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.0601 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.06738 199.4
[M+Na]+ 460.04932 208.2
[M-H]- 436.05282 211.3
[M+NH4]+ 455.09392 210.6
[M+K]+ 476.02326 201.1
[M+H-H2O]+ 420.05736 190.1
[M+HCOO]- 482.05830 216.4
[M+CH3COO]- 496.07395 209.4
[M+Na-2H]- 458.03477 206.9
[M]+ 437.05955 204.9
[M]- 437.06065 204.9
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.