CID 12905382

5-iodo-2-methoxyaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

248.96506 Da
Monoisotopic Mass

2.0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.