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

1
Patents

297.86774 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.87502 156.3
[M+Na]+ 320.85696 168.1
[M-H]- 296.86046 155.7
[M+NH4]+ 315.90156 173.1
[M+K]+ 336.83090 161.8
[M+H-H2O]+ 280.86500 154.0
[M+HCOO]- 342.86594 153.6
[M+CH3COO]- 356.88159 166.2
[M+Na-2H]- 318.84241 157.6
[M]+ 297.86719 157.5
[M]- 297.86829 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

literature stripe

Patent stripe

patents stripe