CID 12134254

3,5-diiodoaniline

Structural Information

Molecular Formula
C6H5I2N
SMILES
C1=C(C=C(C=C1I)I)N
InChI
InChI=1S/C6H5I2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
InChIKey
CHLBMXJABUVAJX-UHFFFAOYSA-N
Compound name
3,5-diiodoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

255
Patents

344.85114 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.858416 142.2
[M+Na]+ 367.840358 136.3
[M-H]- 343.843864 133.9
[M+NH4]+ 362.884963 152.5
[M+K]+ 383.814298 146.0
[M+H-H2O]+ 327.848400 130.9
[M+HCOO]- 389.849341 155.3
[M+CH3COO]- 403.864991 198.7
[M+Na-2H]- 365.825806 130.3
[M]+ 344.85059142 135.7
[M]- 344.85168858 135.7
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