CID 45139850

1-(iodoethynyl)-2-methoxybenzene

Structural Information

Molecular Formula
C9H7IO
SMILES
COC1=CC=CC=C1C#CI
InChI
InChI=1S/C9H7IO/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5H,1H3
InChIKey
PWUIIISANGYFLT-UHFFFAOYSA-N
Compound name
1-(2-iodoethynyl)-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.95416 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.96144 139.0
[M+Na]+ 280.94338 143.3
[M-H]- 256.94688 135.1
[M+NH4]+ 275.98798 153.5
[M+K]+ 296.91732 144.8
[M+H-H2O]+ 240.95142 124.8
[M+HCOO]- 302.95236 153.3
[M+CH3COO]- 316.96801 191.8
[M+Na-2H]- 278.92883 134.1
[M]+ 257.95361 132.6
[M]- 257.95471 132.6
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

No patent data available for this compound.