CID 14091689

5-iodo-2-nitrophenol

Structural Information

Molecular Formula
C6H4INO3
SMILES
C1=CC(=C(C=C1I)O)[N+](=O)[O-]
InChI
InChI=1S/C6H4INO3/c7-4-1-2-5(8(10)11)6(9)3-4/h1-3,9H
InChIKey
NWDXJGPGCDHUJO-UHFFFAOYSA-N
Compound name
5-iodo-2-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

264.92358 Da
Monoisotopic Mass

2.6
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

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Patent stripe

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