CID 18525941

5-(hydroxymethyl)-2-iodophenol

Structural Information

Molecular Formula
C7H7IO2
SMILES
C1=CC(=C(C=C1CO)O)I
InChI
InChI=1S/C7H7IO2/c8-6-2-1-5(4-9)3-7(6)10/h1-3,9-10H,4H2
InChIKey
VIWWSAGABDIIFF-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-2-iodophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

249.94908 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.95636 138.3
[M+Na]+ 272.93830 140.0
[M-H]- 248.94180 132.9
[M+NH4]+ 267.98290 153.8
[M+K]+ 288.91224 143.4
[M+H-H2O]+ 232.94634 129.8
[M+HCOO]- 294.94728 155.4
[M+CH3COO]- 308.96293 178.4
[M+Na-2H]- 270.92375 132.2
[M]+ 249.94853 134.8
[M]- 249.94963 134.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe