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 150.0
[M+Na]+ 397.85094 144.5
[M-H]- 373.85444 141.9
[M+NH4]+ 392.89554 159.6
[M+K]+ 413.82488 154.3
[M+H-H2O]+ 357.85898 138.5
[M+HCOO]- 419.85992 162.9
[M+CH3COO]- 433.87557 203.6
[M+Na-2H]- 395.83639 136.9
[M]+ 374.86117 145.2
[M]- 374.86227 145.2
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