CID 108070

2,3,6,7-tetrachloronaphthalene

Structural Information

Molecular Formula
C10H4Cl4
SMILES
C1=C2C=C(C(=CC2=CC(=C1Cl)Cl)Cl)Cl
InChI
InChI=1S/C10H4Cl4/c11-7-1-5-2-9(13)10(14)4-6(5)3-8(7)12/h1-4H
InChIKey
XTTLUUBHRXWFSZ-UHFFFAOYSA-N
Compound name
2,3,6,7-tetrachloronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

263.9067 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.91398 148.0
[M+Na]+ 286.89592 160.3
[M-H]- 262.89942 149.5
[M+NH4]+ 281.94052 167.0
[M+K]+ 302.86986 153.4
[M+H-H2O]+ 246.90396 145.4
[M+HCOO]- 308.90490 151.0
[M+CH3COO]- 322.92055 159.8
[M+Na-2H]- 284.88137 151.9
[M]+ 263.90615 150.8
[M]- 263.90725 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