CID 110072

68368-34-3

Structural Information

Molecular Formula

C₁₇H₁₃ClN₂O₄S

SMILES

CC1=C(C=CC(=C1S(=O)(=O)O)N=NC2=C(C=CC3=CC=CC=C32)O)Cl

InChI

InChI=1S/C17H13ClN2O4S/c1-10-13(18)7-8-14(17(10)25(22,23)24)19-20-16-12-5-3-2-4-11(12)6-9-15(16)21/h2-9,21H,1H3,(H,22,23,24)

InChIKey

QCGUANCDCCKZRP-UHFFFAOYSA-N

Compound name

3-chloro-6-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylbenzenesulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 376.02844 Da
Monoisotopic Mass: 4.3
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]+	377.035716	182.0
[M+Na]+	399.017658	192.6
[M-H]-	375.021164	190.6
[M+NH4]+	394.062263	196.2
[M+K]+	414.991598	186.6
[M+H-H2O]+	359.025700	175.2
[M+HCOO]-	421.026641	197.1
[M+CH3COO]-	435.042291	218.1
[M+Na-2H]-	397.003106	187.8
[M]+	376.02789142	189.1
[M]-	376.02898858	189.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.