CID 13774763

4-amino-2-iodophenol

Structural Information

Molecular Formula
C6H6INO
SMILES
C1=CC(=C(C=C1N)I)O
InChI
InChI=1S/C6H6INO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H,8H2
InChIKey
GUGSDWSSHLBVST-UHFFFAOYSA-N
Compound name
4-amino-2-iodophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

154
Patents

234.94942 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.956696 136.2
[M+Na]+ 257.938638 138.0
[M-H]- 233.942144 131.9
[M+NH4]+ 252.983243 152.4
[M+K]+ 273.912578 141.5
[M+H-H2O]+ 217.946680 127.5
[M+HCOO]- 279.947621 155.2
[M+CH3COO]- 293.963271 180.0
[M+Na-2H]- 255.924086 130.2
[M]+ 234.94887142 131.1
[M]- 234.94996858 131.1
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