CID 13839250

39735-76-7

Structural Information

Molecular Formula
C9H7IO
SMILES
C#CCOC1=CC=C(C=C1)I
InChI
InChI=1S/C9H7IO/c1-2-7-11-9-5-3-8(10)4-6-9/h1,3-6H,7H2
InChIKey
FZEUQYUAYBKAGK-UHFFFAOYSA-N
Compound name
1-iodo-4-prop-2-ynoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

257.95416 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.96144 138.2
[M+Na]+ 280.94338 144.5
[M+NH4]+ 275.98798 140.1
[M+K]+ 296.91732 137.8
[M-H]- 256.94688 127.8
[M+Na-2H]- 278.92883 131.9
[M]+ 257.95361 134.5
[M]- 257.95471 134.5
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