CID 113128

63216-91-1

Structural Information

Molecular Formula
C18H14ClN3O3S
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC(=C(C=C3)Cl)S(=O)(=O)O
InChI
InChI=1S/C18H14ClN3O3S/c19-17-11-10-16(12-18(17)26(23,24)25)22-21-15-8-6-14(7-9-15)20-13-4-2-1-3-5-13/h1-12,20H,(H,23,24,25)
InChIKey
FLOYGGLYWMATMF-UHFFFAOYSA-N
Compound name
5-[(4-anilinophenyl)diazenyl]-2-chlorobenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.04443 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.05171 187.0
[M+Na]+ 410.03365 195.4
[M-H]- 386.03715 198.4
[M+NH4]+ 405.07825 199.2
[M+K]+ 426.00759 188.8
[M+H-H2O]+ 370.04169 178.2
[M+HCOO]- 432.04263 205.6
[M+CH3COO]- 446.05828 222.0
[M+Na-2H]- 408.01910 193.3
[M]+ 387.04388 191.7
[M]- 387.04498 191.7
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.