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-dichloro-2-pyridinyl)oxy]phenoxy]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

271
References

285
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.