CID 107629

2-iodobenzyl alcohol

Structural Information

Molecular Formula
C7H7IO
SMILES
C1=CC=C(C(=C1)CO)I
InChI
InChI=1S/C7H7IO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
InChIKey
WZCXOBMFBKSSFA-UHFFFAOYSA-N
Compound name
(2-iodophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

896
Patents

233.95416 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.96144 131.9
[M+Na]+ 256.94338 137.6
[M+NH4]+ 251.98798 136.8
[M+K]+ 272.91732 134.3
[M-H]- 232.94688 128.0
[M+Na-2H]- 254.92883 126.9
[M]+ 233.95361 130.5
[M]- 233.95471 130.5
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