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
2
Annotation Hits

3
References

894
Patents

233.95416 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.961436 133.2
[M+Na]+ 256.943378 134.5
[M-H]- 232.946884 128.8
[M+NH4]+ 251.987983 149.8
[M+K]+ 272.917318 138.3
[M+H-H2O]+ 216.951420 124.6
[M+HCOO]- 278.952361 151.6
[M+CH3COO]- 292.968011 177.9
[M+Na-2H]- 254.928826 128.5
[M]+ 233.95361142 129.8
[M]- 233.95470858 129.8
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