CID 11134

Benzenesulfonic acid, 4-(2-(4-(phenylamino)phenyl)diazenyl)-

Structural Information

Molecular Formula
C18H15N3O3S
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)S(=O)(=O)O
InChI
InChI=1S/C18H15N3O3S/c22-25(23,24)18-12-10-17(11-13-18)21-20-16-8-6-15(7-9-16)19-14-4-2-1-3-5-14/h1-13,19H,(H,22,23,24)
InChIKey
LXEMVZAXEIKMOU-UHFFFAOYSA-N
Compound name
4-[(4-anilinophenyl)diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

2086
Patents

353.0834 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.09068 178.9
[M+Na]+ 376.07262 185.8
[M-H]- 352.07612 190.0
[M+NH4]+ 371.11722 191.3
[M+K]+ 392.04656 180.5
[M+H-H2O]+ 336.08066 169.1
[M+HCOO]- 398.08160 202.1
[M+CH3COO]- 412.09725 217.3
[M+Na-2H]- 374.05807 186.5
[M]+ 353.08285 180.8
[M]- 353.08395 180.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe