CID 11010336

2-iodo-4-methoxyphenylamine

Structural Information

Molecular Formula
C7H8INO
SMILES
COC1=CC(=C(C=C1)N)I
InChI
InChI=1S/C7H8INO/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
InChIKey
ASINPZWBVCLVDK-UHFFFAOYSA-N
Compound name
2-iodo-4-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

179
Patents

248.96506 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.97234 139.5
[M+Na]+ 271.95428 141.2
[M-H]- 247.95778 136.2
[M+NH4]+ 266.99888 155.9
[M+K]+ 287.92822 145.4
[M+H-H2O]+ 231.96232 130.3
[M+HCOO]- 293.96326 159.6
[M+CH3COO]- 307.97891 185.3
[M+Na-2H]- 269.93973 133.5
[M]+ 248.96451 136.5
[M]- 248.96561 136.5
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