CID 13585202

2-iodo-6-nitrophenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

39
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 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

literature stripe

Patent stripe

patents stripe