CID 46737999

4-iodo-2-methoxyaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

248.96506 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.972336 139.5
[M+Na]+ 271.954278 141.2
[M-H]- 247.957784 136.2
[M+NH4]+ 266.998883 155.9
[M+K]+ 287.928218 145.4
[M+H-H2O]+ 231.962320 130.3
[M+HCOO]- 293.963261 159.6
[M+CH3COO]- 307.978911 185.3
[M+Na-2H]- 269.939726 133.5
[M]+ 248.96451142 136.5
[M]- 248.96560858 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