CID 93955

Einecs 261-126-1

Structural Information

Molecular Formula
C16H16Cl2N4O4
SMILES
C1=CC(=C(C=C1N(CCO)CCO)Cl)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C16H16Cl2N4O4/c17-13-9-11(21(5-7-23)6-8-24)1-3-15(13)19-20-16-4-2-12(22(25)26)10-14(16)18/h1-4,9-10,23-24H,5-8H2
InChIKey
BUXMFCOMCSLYMY-UHFFFAOYSA-N
Compound name
2-[3-chloro-4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

398.05487 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.06215 190.4
[M+Na]+ 421.04409 195.8
[M-H]- 397.04759 197.2
[M+NH4]+ 416.08869 201.5
[M+K]+ 437.01803 187.6
[M+H-H2O]+ 381.05213 187.5
[M+HCOO]- 443.05307 209.2
[M+CH3COO]- 457.06872 222.4
[M+Na-2H]- 419.02954 194.6
[M]+ 398.05432 195.2
[M]- 398.05542 195.2
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

No patent data available for this compound.