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 141.5
[M+Na]+ 280.94338 145.5
[M-H]- 256.94688 136.5
[M+NH4]+ 275.98798 155.5
[M+K]+ 296.91732 146.2
[M+H-H2O]+ 240.95142 127.6
[M+HCOO]- 302.95236 154.5
[M+CH3COO]- 316.96801 189.5
[M+Na-2H]- 278.92883 136.0
[M]+ 257.95361 133.5
[M]- 257.95471 133.5
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

No patent data available for this compound.