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
1
Annotation Hits

0
References

0
Patents

376.02844 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.03572 183.2
[M+Na]+ 399.01766 197.7
[M+NH4]+ 394.06226 190.7
[M+K]+ 414.99160 188.5
[M-H]- 375.02116 187.9
[M+Na-2H]- 397.00311 191.2
[M]+ 376.02789 187.4
[M]- 376.02899 187.4
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.