CID 16310

1,7-dichloronaphthalene

Structural Information

Molecular Formula
C10H6Cl2
SMILES
C1=CC2=C(C=C(C=C2)Cl)C(=C1)Cl
InChI
InChI=1S/C10H6Cl2/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h1-6H
InChIKey
VQBIYCQGHAHVPN-UHFFFAOYSA-N
Compound name
1,7-dichloronaphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

75
Patents

195.98465 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.99193 134.2
[M+Na]+ 218.97387 145.8
[M-H]- 194.97737 138.5
[M+NH4]+ 214.01847 156.4
[M+K]+ 234.94781 139.7
[M+H-H2O]+ 178.98191 130.4
[M+HCOO]- 240.98285 148.7
[M+CH3COO]- 254.99850 148.5
[M+Na-2H]- 216.95932 142.5
[M]+ 195.98410 137.3
[M]- 195.98520 137.3
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