CID 91621954

3,5-diiodo-4-methoxyaniline

Structural Information

Molecular Formula
C7H7I2NO
SMILES
COC1=C(C=C(C=C1I)N)I
InChI
InChI=1S/C7H7I2NO/c1-11-7-5(8)2-4(10)3-6(7)9/h2-3H,10H2,1H3
InChIKey
HSUJYIOBQDIMPP-UHFFFAOYSA-N
Compound name
3,5-diiodo-4-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

374.86172 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.86900 149.8
[M+Na]+ 397.85094 146.3
[M+NH4]+ 392.89554 149.2
[M+K]+ 413.82488 147.7
[M-H]- 373.85444 140.4
[M+Na-2H]- 395.83639 134.6
[M]+ 374.86117 144.7
[M]- 374.86227 144.7
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