CID 5382

Tcpobop

Structural Information

Molecular Formula
C16H8Cl4N2O2
SMILES
C1=CC(=CC=C1OC2=C(C=C(C=N2)Cl)Cl)OC3=C(C=C(C=N3)Cl)Cl
InChI
InChI=1S/C16H8Cl4N2O2/c17-9-5-13(19)15(21-7-9)23-11-1-2-12(4-3-11)24-16-14(20)6-10(18)8-22-16/h1-8H
InChIKey
BAFKRPOFIYPKBQ-UHFFFAOYSA-N
Compound name
3,5-dichloro-2-[4-(3,5-dichloropyridin-2-yl)oxyphenoxy]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

270
References

299
Patents

399.934 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.94128 179.3
[M+Na]+ 422.92322 190.5
[M-H]- 398.92672 182.8
[M+NH4]+ 417.96782 189.0
[M+K]+ 438.89716 183.9
[M+H-H2O]+ 382.93126 170.3
[M+HCOO]- 444.93220 180.6
[M+CH3COO]- 458.94785 188.3
[M+Na-2H]- 420.90867 181.3
[M]+ 399.93345 184.8
[M]- 399.93455 184.8
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