CID 114838

1,4,5,8-tetrachloronaphthalene

Structural Information

Molecular Formula
C10H4Cl4
SMILES
C1=CC(=C2C(=CC=C(C2=C1Cl)Cl)Cl)Cl
InChI
InChI=1S/C10H4Cl4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4H
InChIKey
LITCKAVLJAKHOE-UHFFFAOYSA-N
Compound name
1,4,5,8-tetrachloronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

263.9067 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.913976 148.0
[M+Na]+ 286.895918 160.3
[M-H]- 262.899424 149.5
[M+NH4]+ 281.940523 167.0
[M+K]+ 302.869858 153.4
[M+H-H2O]+ 246.903960 145.4
[M+HCOO]- 308.904901 151.0
[M+CH3COO]- 322.920551 159.8
[M+Na-2H]- 284.881366 151.9
[M]+ 263.90615142 150.8
[M]- 263.90724858 150.8
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