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]+ 265.93086 143.2
[M+Na]+ 287.91280 144.7
[M-H]- 263.91630 139.4
[M+NH4]+ 282.95740 157.9
[M+K]+ 303.88674 145.0
[M+H-H2O]+ 247.92084 138.7
[M+HCOO]- 309.92178 163.0
[M+CH3COO]- 323.93743 177.2
[M+Na-2H]- 285.89825 138.7
[M]+ 264.92303 138.8
[M]- 264.92413 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