CID 6454204

Disperse red 118

Structural Information

Molecular Formula
C16H15Br2ClN4O4
SMILES
C1=CC(=C(C=C1N(CCO)CCO)Cl)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br
InChI
InChI=1S/C16H15Br2ClN4O4/c17-12-7-11(23(26)27)8-13(18)16(12)21-20-15-2-1-10(9-14(15)19)22(3-5-24)4-6-25/h1-2,7-9,24-25H,3-6H2
InChIKey
NMNGPGUKCHNKOE-UHFFFAOYSA-N
Compound name
2-[3-chloro-4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

519.91486 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.92214 199.5
[M+Na]+ 542.90408 194.0
[M+NH4]+ 537.94868 199.8
[M+K]+ 558.87802 200.3
[M-H]- 518.90758 202.1
[M+Na-2H]- 540.88953 199.2
[M]+ 519.91431 198.5
[M]- 519.91541 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

No patent data available for this compound.