CID 105634

Dtxsid0070607

Structural Information

Molecular Formula

C₁₈H₁₅ClN₂O₄S

SMILES

CCC1=CC(=C(C=C1Cl)S(=O)(=O)O)N=NC2=C(C=CC3=CC=CC=C32)O

InChI

InChI=1S/C18H15ClN2O4S/c1-2-11-9-15(17(10-14(11)19)26(23,24)25)20-21-18-13-6-4-3-5-12(13)7-8-16(18)22/h3-10,22H,2H2,1H3,(H,23,24,25)

InChIKey

SXKUUTVDRYXLDW-UHFFFAOYSA-N

Compound name

5-chloro-4-ethyl-2-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 40
Patents: 390.0441 Da
Monoisotopic Mass: 4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	391.051376	186.4
[M+Na]+	413.033318	196.5
[M-H]-	389.036824	194.8
[M+NH4]+	408.077923	200.0
[M+K]+	429.007258	190.3
[M+H-H2O]+	373.041360	179.4
[M+HCOO]-	435.042301	201.1
[M+CH3COO]-	449.057951	221.0
[M+Na-2H]-	411.018766	191.7
[M]+	390.04355142	193.7
[M]-	390.04464858	193.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe