CID 11334391

4-methoxy-(2-iodoethynyl)benzene

Structural Information

Molecular Formula
C9H7IO
SMILES
COC1=CC=C(C=C1)C#CI
InChI
InChI=1S/C9H7IO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,1H3
InChIKey
NMOBFTCTMWINSP-UHFFFAOYSA-N
Compound name
1-(2-iodoethynyl)-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

257.95416 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.96144 138.3
[M+Na]+ 280.94338 144.6
[M+NH4]+ 275.98798 140.1
[M+K]+ 296.91732 137.9
[M-H]- 256.94688 127.9
[M+Na-2H]- 278.92883 132.0
[M]+ 257.95361 134.6
[M]- 257.95471 134.6
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