CID 12167350

2-iodo-3-nitrophenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

172
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

literature stripe

Patent stripe

patents stripe