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 137.6
[M+Na]+ 271.95428 142.7
[M+NH4]+ 266.99888 142.2
[M+K]+ 287.92822 139.7
[M-H]- 247.95778 134.2
[M+Na-2H]- 269.93973 132.0
[M]+ 248.96451 136.3
[M]- 248.96561 136.3
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