CID 12536526

4-amino-2,6-diiodophenol

Structural Information

Molecular Formula
C6H5I2NO
SMILES
C1=C(C=C(C(=C1I)O)I)N
InChI
InChI=1S/C6H5I2NO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H,9H2
InChIKey
MQGFZJCCEDLGNT-UHFFFAOYSA-N
Compound name
4-amino-2,6-diiodophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

360.84607 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.85335 147.7
[M+Na]+ 383.83529 142.1
[M-H]- 359.83879 138.6
[M+NH4]+ 378.87989 157.1
[M+K]+ 399.80923 151.5
[M+H-H2O]+ 343.84333 136.5
[M+HCOO]- 405.84427 159.6
[M+CH3COO]- 419.85992 199.2
[M+Na-2H]- 381.82074 134.5
[M]+ 360.84552 141.1
[M]- 360.84662 141.1
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