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

1
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

patents stripe