CID 31878

Disperse brown 1

Structural Information

Molecular Formula
C16H15Cl3N4O4
SMILES
C1=CC(=C(C=C1N(CCO)CCO)Cl)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C16H15Cl3N4O4/c17-12-7-10(22(3-5-24)4-6-25)1-2-15(12)20-21-16-13(18)8-11(23(26)27)9-14(16)19/h1-2,7-9,24-25H,3-6H2
InChIKey
HXXLWTPFYWMBSC-UHFFFAOYSA-N
Compound name
2-[3-chloro-4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

641
Patents

432.0159 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.02318 194.4
[M+Na]+ 455.00512 207.9
[M+NH4]+ 450.04972 200.8
[M+K]+ 470.97906 202.2
[M-H]- 431.00862 199.9
[M+Na-2H]- 452.99057 200.7
[M]+ 432.01535 198.5
[M]- 432.01645 198.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe