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

66
Patents

283.96982 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.97710 143.2
[M+Na]+ 306.95904 150.9
[M+NH4]+ 302.00364 149.2
[M+K]+ 322.93298 146.1
[M-H]- 282.96254 140.9
[M+Na-2H]- 304.94449 139.1
[M]+ 283.96927 142.8
[M]- 283.97037 142.8
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