CID 136229145

Dtxsid901135613

Structural Information

Molecular Formula
C17H13Cl3N2O3
SMILES
CCOC(=O)/C(=C(/C1=C(C=CC=C1Cl)Cl)\O)/N=NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H13Cl3N2O3/c1-2-25-17(24)15(22-21-11-8-6-10(18)7-9-11)16(23)14-12(19)4-3-5-13(14)20/h3-9,23H,2H2,1H3/b16-15+,22-21?
InChIKey
BWIYAQILGXQTFI-CGDUMJOJSA-N
Compound name
ethyl (E)-2-[(4-chlorophenyl)diazenyl]-3-(2,6-dichlorophenyl)-3-hydroxyprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.99918 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.00646 186.1
[M+Na]+ 420.98840 194.0
[M-H]- 396.99190 192.4
[M+NH4]+ 416.03300 198.8
[M+K]+ 436.96234 188.2
[M+H-H2O]+ 380.99644 180.3
[M+HCOO]- 442.99738 196.4
[M+CH3COO]- 457.01303 223.3
[M+Na-2H]- 418.97385 186.0
[M]+ 397.99863 192.3
[M]- 397.99973 192.3
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.