CID 269493

1-iodo-2-methoxynaphthalene

Structural Information

Molecular Formula
C11H9IO
SMILES
COC1=C(C2=CC=CC=C2C=C1)I
InChI
InChI=1S/C11H9IO/c1-13-10-7-6-8-4-2-3-5-9(8)11(10)12/h2-7H,1H3
InChIKey
XZAWOOAVCQUZBG-UHFFFAOYSA-N
Compound name
1-iodo-2-methoxynaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

283.96982 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.977096 140.5
[M+Na]+ 306.959038 142.9
[M-H]- 282.962544 138.2
[M+NH4]+ 302.003643 157.0
[M+K]+ 322.932978 145.9
[M+H-H2O]+ 266.967080 131.1
[M+HCOO]- 328.968021 159.1
[M+CH3COO]- 342.983671 190.4
[M+Na-2H]- 304.944486 137.2
[M]+ 283.96927142 139.4
[M]- 283.97036858 139.4
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