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

21
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 186.4
[M+Na]+ 413.03332 196.5
[M-H]- 389.03682 194.8
[M+NH4]+ 408.07792 200.0
[M+K]+ 429.00726 190.3
[M+H-H2O]+ 373.04136 179.4
[M+HCOO]- 435.04230 201.1
[M+CH3COO]- 449.05795 221.0
[M+Na-2H]- 411.01877 191.7
[M]+ 390.04355 193.7
[M]- 390.04465 193.7
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

patents stripe