CID 43505672

1-(chloromethyl)-2-(propan-2-yloxy)naphthalene

Structural Information

Molecular Formula
C14H15ClO
SMILES
CC(C)OC1=C(C2=CC=CC=C2C=C1)CCl
InChI
InChI=1S/C14H15ClO/c1-10(2)16-14-8-7-11-5-3-4-6-12(11)13(14)9-15/h3-8,10H,9H2,1-2H3
InChIKey
LYLFWGQHYZZPDM-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-2-propan-2-yloxynaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

234.08115 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08843 150.2
[M+Na]+ 257.07037 159.3
[M-H]- 233.07387 154.7
[M+NH4]+ 252.11497 170.4
[M+K]+ 273.04431 154.5
[M+H-H2O]+ 217.07841 144.8
[M+HCOO]- 279.07935 167.7
[M+CH3COO]- 293.09500 192.7
[M+Na-2H]- 255.05582 155.9
[M]+ 234.08060 154.4
[M]- 234.08170 154.4
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