CID 524223

1,2,3-trichloronaphthalene

Structural Information

Molecular Formula
C10H5Cl3
SMILES
C1=CC=C2C(=C1)C=C(C(=C2Cl)Cl)Cl
InChI
InChI=1S/C10H5Cl3/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-5H
InChIKey
QEPTXDCPBXMWJC-UHFFFAOYSA-N
Compound name
1,2,3-trichloronaphthalene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1
References

471
Patents

229.94568 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.95296 141.8
[M+Na]+ 252.93490 159.9
[M+NH4]+ 247.97950 153.1
[M+K]+ 268.90884 149.6
[M-H]- 228.93840 145.9
[M+Na-2H]- 250.92035 150.9
[M]+ 229.94513 146.8
[M]- 229.94623 146.8
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