CID 13398612

2-(1-chloroethyl)-6-methoxynaphthalene

Structural Information

Molecular Formula
C13H13ClO
SMILES
CC(C1=CC2=C(C=C1)C=C(C=C2)OC)Cl
InChI
InChI=1S/C13H13ClO/c1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10/h3-9H,1-2H3
InChIKey
ILLLBGNKMYNCNG-UHFFFAOYSA-N
Compound name
2-(1-chloroethyl)-6-methoxynaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

220.06549 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07277 145.3
[M+Na]+ 243.05471 154.9
[M-H]- 219.05821 150.1
[M+NH4]+ 238.09931 166.1
[M+K]+ 259.02865 150.4
[M+H-H2O]+ 203.06275 140.2
[M+HCOO]- 265.06369 163.2
[M+CH3COO]- 279.07934 189.7
[M+Na-2H]- 241.04016 151.6
[M]+ 220.06494 149.2
[M]- 220.06604 149.2
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