CID 121552409

[4-(2-iodoethynyl)phenyl]methanol

Structural Information

Molecular Formula
C9H7IO
SMILES
C1=CC(=CC=C1CO)C#CI
InChI
InChI=1S/C9H7IO/c10-6-5-8-1-3-9(7-11)4-2-8/h1-4,11H,7H2
InChIKey
WIMFLHFWKKSMIN-UHFFFAOYSA-N
Compound name
[4-(2-iodoethynyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.95416 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.96144 139.3
[M+Na]+ 280.94338 145.2
[M+NH4]+ 275.98798 140.9
[M+K]+ 296.91732 138.7
[M-H]- 256.94688 128.4
[M+Na-2H]- 278.92883 132.4
[M]+ 257.95361 135.4
[M]- 257.95471 135.4
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.