CID 14059960

2-amino-1-(2-iodophenyl)ethanol hydrochloride

Structural Information

Molecular Formula
C8H10INO
SMILES
C1=CC=C(C(=C1)C(CN)O)I
InChI
InChI=1S/C8H10INO/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4,8,11H,5,10H2
InChIKey
CWLIBAOBIAUKPM-UHFFFAOYSA-N
Compound name
2-amino-1-(2-iodophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

262.9807 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.987976 147.0
[M+Na]+ 285.969918 146.7
[M-H]- 261.973424 141.9
[M+NH4]+ 281.014523 161.7
[M+K]+ 301.943858 150.2
[M+H-H2O]+ 245.977960 137.6
[M+HCOO]- 307.978901 164.4
[M+CH3COO]- 321.994551 185.5
[M+Na-2H]- 283.955366 139.2
[M]+ 262.98015142 141.5
[M]- 262.98124858 141.5
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