CID 6454204

Einecs 262-813-9

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 194.0
[M+Na]+ 542.90408 200.9
[M-H]- 518.90758 202.7
[M+NH4]+ 537.94868 204.9
[M+K]+ 558.87802 180.6
[M+H-H2O]+ 502.91212 199.9
[M+HCOO]- 564.91306 208.5
[M+CH3COO]- 578.92871 236.0
[M+Na-2H]- 540.88953 197.7
[M]+ 519.91431 230.2
[M]- 519.91541 230.2
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.