CID 114760

1,2,4,5,7-pentachloronaphthalene

Structural Information

Molecular Formula
C10H3Cl5
SMILES
C1=C(C=C(C2=C1C(=C(C=C2Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C10H3Cl5/c11-4-1-5-9(6(12)2-4)7(13)3-8(14)10(5)15/h1-3H
InChIKey
WYLDWCYZCFRVRH-UHFFFAOYSA-N
Compound name
1,2,4,5,7-pentachloronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

297.86774 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.875016 156.3
[M+Na]+ 320.856958 168.1
[M-H]- 296.860464 155.7
[M+NH4]+ 315.901563 173.1
[M+K]+ 336.830898 161.8
[M+H-H2O]+ 280.865000 154.0
[M+HCOO]- 342.865941 153.6
[M+CH3COO]- 356.881591 166.2
[M+Na-2H]- 318.842406 157.6
[M]+ 297.86719142 157.5
[M]- 297.86828858 157.5
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.