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

2218
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 153.9
[M+Na]+ 413.80947 148.2
[M-H]- 389.81297 145.4
[M+NH4]+ 408.85407 162.1
[M+K]+ 429.78341 154.7
[M+H-H2O]+ 373.81751 146.3
[M+HCOO]- 435.81845 166.5
[M+CH3COO]- 449.83410 196.8
[M+Na-2H]- 411.79492 142.2
[M]+ 390.81970 147.9
[M]- 390.82080 147.9
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