CID 11807352

1-iodo-2-(prop-2-yn-1-yloxy)benzene

Structural Information

Molecular Formula
C9H7IO
SMILES
C#CCOC1=CC=CC=C1I
InChI
InChI=1S/C9H7IO/c1-2-7-11-9-6-4-3-5-8(9)10/h1,3-6H,7H2
InChIKey
SWKJNXTUOYWKBR-UHFFFAOYSA-N
Compound name
1-iodo-2-prop-2-ynoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.95416 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.96144 138.8
[M+Na]+ 280.94338 143.1
[M-H]- 256.94688 134.9
[M+NH4]+ 275.98798 153.3
[M+K]+ 296.91732 144.5
[M+H-H2O]+ 240.95142 124.6
[M+HCOO]- 302.95236 153.1
[M+CH3COO]- 316.96801 192.3
[M+Na-2H]- 278.92883 133.9
[M]+ 257.95361 132.4
[M]- 257.95471 132.4
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

No patent data available for this compound.