CID 105964

67892-38-0

Structural Information

Molecular Formula
C18H15ClN2O4S
SMILES
CCC1=C(C=C(C=C1Cl)S(=O)(=O)O)N=NC2=C(C=CC3=CC=CC=C32)O
InChI
InChI=1S/C18H15ClN2O4S/c1-2-13-15(19)9-12(26(23,24)25)10-16(13)20-21-18-14-6-4-3-5-11(14)7-8-17(18)22/h3-10,22H,2H2,1H3,(H,23,24,25)
InChIKey
OGMYPAPKFQJPFE-UHFFFAOYSA-N
Compound name
3-chloro-4-ethyl-5-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.0441 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.05138 187.6
[M+Na]+ 413.03332 201.9
[M+NH4]+ 408.07792 194.9
[M+K]+ 429.00726 192.4
[M-H]- 389.03682 192.2
[M+Na-2H]- 411.01877 195.3
[M]+ 390.04355 191.8
[M]- 390.04465 191.8
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.