CID 2733454

4-iodo-3-nitrophenol

Structural Information

Molecular Formula
C6H4INO3
SMILES
C1=CC(=C(C=C1O)[N+](=O)[O-])I
InChI
InChI=1S/C6H4INO3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9H
InChIKey
QCKXOEOOXJUACP-UHFFFAOYSA-N
Compound name
4-iodo-3-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

264.92358 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.930856 143.2
[M+Na]+ 287.912798 144.7
[M-H]- 263.916304 139.4
[M+NH4]+ 282.957403 157.9
[M+K]+ 303.886738 145.0
[M+H-H2O]+ 247.920840 138.7
[M+HCOO]- 309.921781 163.0
[M+CH3COO]- 323.937431 177.2
[M+Na-2H]- 285.898246 138.7
[M]+ 264.92303142 138.8
[M]- 264.92412858 138.8
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