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

82
Patents

264.92358 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.93086 140.9
[M+Na]+ 287.91280 146.6
[M+NH4]+ 282.95740 144.7
[M+K]+ 303.88674 146.6
[M-H]- 263.91630 137.4
[M+Na-2H]- 285.89825 134.3
[M]+ 264.92303 139.5
[M]- 264.92413 139.5
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