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

8
Patents

260.96506 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.972336 143.7
[M+Na]+ 283.954278 144.2
[M-H]- 259.957784 140.0
[M+NH4]+ 278.998883 159.2
[M+K]+ 299.928218 148.0
[M+H-H2O]+ 243.962320 134.2
[M+HCOO]- 305.963261 162.8
[M+CH3COO]- 319.978911 187.1
[M+Na-2H]- 281.939726 136.6
[M]+ 260.96451142 139.4
[M]- 260.96560858 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