CID 135565739

Unii-7539m83dvt

Structural Information

Molecular Formula
C18H15ClN2O7S2
SMILES
CCC1=CC(=C(C=C1Cl)S(=O)(=O)O)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O
InChI
InChI=1S/C18H15ClN2O7S2/c1-2-10-8-15(17(9-14(10)19)30(26,27)28)20-21-18-13-5-4-12(29(23,24)25)7-11(13)3-6-16(18)22/h3-9,22H,2H2,1H3,(H,23,24,25)(H,26,27,28)
InChIKey
BTHAHRKSJDKOHV-UHFFFAOYSA-N
Compound name
5-[(4-chloro-5-ethyl-2-sulfophenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

470.00092 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.00820 200.4
[M+Na]+ 492.99014 209.0
[M-H]- 468.99364 206.7
[M+NH4]+ 488.03474 209.5
[M+K]+ 508.96408 202.8
[M+H-H2O]+ 452.99818 194.1
[M+HCOO]- 514.99912 207.3
[M+CH3COO]- 529.01477 230.2
[M+Na-2H]- 490.97559 207.0
[M]+ 470.00037 209.0
[M]- 470.00147 209.0
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.