CID 13384257

2-(chloromethyl)-6-methoxynaphthalene

Structural Information

Molecular Formula
C12H11ClO
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)CCl
InChI
InChI=1S/C12H11ClO/c1-14-12-5-4-10-6-9(8-13)2-3-11(10)7-12/h2-7H,8H2,1H3
InChIKey
JYLGKVDVIPITQM-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-6-methoxynaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

206.04984 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.05712 140.6
[M+Na]+ 229.03906 151.0
[M-H]- 205.04256 145.5
[M+NH4]+ 224.08366 162.1
[M+K]+ 245.01300 146.2
[M+H-H2O]+ 189.04710 135.6
[M+HCOO]- 251.04804 159.8
[M+CH3COO]- 265.06369 185.9
[M+Na-2H]- 227.02451 148.7
[M]+ 206.04929 144.7
[M]- 206.05039 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe