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

72
Patents

344.85114 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.85842 142.2
[M+Na]+ 367.84036 136.3
[M-H]- 343.84386 133.9
[M+NH4]+ 362.88496 152.5
[M+K]+ 383.81430 146.0
[M+H-H2O]+ 327.84840 130.9
[M+HCOO]- 389.84934 155.3
[M+CH3COO]- 403.86499 198.7
[M+Na-2H]- 365.82581 130.3
[M]+ 344.85059 135.7
[M]- 344.85169 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