CID 87126

Disperse brown 4

Structural Information

Molecular Formula
C16H15BrCl2N4O4
SMILES
C1=CC(=C(C=C1N(CCO)CCO)Cl)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])Cl
InChI
InChI=1S/C16H15BrCl2N4O4/c17-12-7-11(23(26)27)9-14(19)16(12)21-20-15-2-1-10(8-13(15)18)22(3-5-24)4-6-25/h1-2,7-9,24-25H,3-6H2
InChIKey
WZYPIHOBHDXNJL-UHFFFAOYSA-N
Compound name
2-[4-[(2-bromo-6-chloro-4-nitrophenyl)diazenyl]-3-chloro-N-(2-hydroxyethyl)anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

141
Patents

475.96536 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.97264 200.2
[M+Na]+ 498.95458 204.0
[M+NH4]+ 493.99918 203.1
[M+K]+ 514.92852 204.3
[M-H]- 474.95808 204.0
[M+Na-2H]- 496.94003 202.8
[M]+ 475.96481 201.0
[M]- 475.96591 201.0
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

patents stripe