CID 87126

12223-16-4

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 197.2
[M+Na]+ 498.95458 205.9
[M-H]- 474.95808 206.0
[M+NH4]+ 493.99918 209.1
[M+K]+ 514.92852 188.8
[M+H-H2O]+ 458.96262 198.4
[M+HCOO]- 520.96356 213.1
[M+CH3COO]- 534.97921 230.4
[M+Na-2H]- 496.94003 201.5
[M]+ 475.96481 220.2
[M]- 475.96591 220.2
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