CID 21512934

2,5-diiodoaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
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

No literature data available for this compound.

Patent stripe

patents stripe