CID 482308

Rd3-0192

Structural Information

Molecular Formula
C16H12Cl4N2O2
SMILES
C1=C(C=C(C(=C1C=NCCN=CC2=C(C(=CC(=C2)Cl)Cl)O)O)Cl)Cl
InChI
InChI=1S/C16H12Cl4N2O2/c17-11-3-9(15(23)13(19)5-11)7-21-1-2-22-8-10-4-12(18)6-14(20)16(10)24/h3-8,23-24H,1-2H2
InChIKey
OVHWMFJGVITYRF-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

403.9653 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.97258 188.6
[M+Na]+ 426.95452 199.0
[M-H]- 402.95802 192.3
[M+NH4]+ 421.99912 201.1
[M+K]+ 442.92846 191.2
[M+H-H2O]+ 386.96256 184.0
[M+HCOO]- 448.96350 194.1
[M+CH3COO]- 462.97915 223.3
[M+Na-2H]- 424.93997 187.9
[M]+ 403.96475 193.6
[M]- 403.96585 193.6
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

patents stripe