CID 9370

2,6-diiodo-4-nitrophenol

Structural Information

Molecular Formula
C6H3I2NO3
SMILES
C1=C(C=C(C(=C1I)O)I)[N+](=O)[O-]
InChI
InChI=1S/C6H3I2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H
InChIKey
UVGTXNPVQOQFQW-UHFFFAOYSA-N
Compound name
2,6-diiodo-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

29
References

2179
Patents

390.82025 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.82753 155.7
[M+Na]+ 413.80947 152.7
[M+NH4]+ 408.85407 154.4
[M+K]+ 429.78341 156.2
[M-H]- 389.81297 146.2
[M+Na-2H]- 411.79492 139.6
[M]+ 390.81970 150.5
[M]- 390.82080 150.5
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