CID 1132993

2-amino-1-(4-iodophenyl)ethanone hydrochloride

Structural Information

Molecular Formula
C8H8INO
SMILES
C1=CC(=CC=C1C(=O)CN)I
InChI
InChI=1S/C8H8INO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5,10H2
InChIKey
VWTBEGAKSUDEHO-UHFFFAOYSA-N
Compound name
2-amino-1-(4-iodophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

260.96506 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.97234 143.7
[M+Na]+ 283.95428 144.2
[M-H]- 259.95778 140.0
[M+NH4]+ 278.99888 159.2
[M+K]+ 299.92822 148.0
[M+H-H2O]+ 243.96232 134.2
[M+HCOO]- 305.96326 162.8
[M+CH3COO]- 319.97891 187.1
[M+Na-2H]- 281.93973 136.6
[M]+ 260.96451 139.4
[M]- 260.96561 139.4
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