CID 53425564

3-chloro-5-iodophenol

Structural Information

Molecular Formula
C6H4ClIO
SMILES
C1=C(C=C(C=C1Cl)I)O
InChI
InChI=1S/C6H4ClIO/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
InChIKey
QBNIBNUEBBJVFN-UHFFFAOYSA-N
Compound name
3-chloro-5-iodophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

253.89954 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.90682 130.9
[M+Na]+ 276.88876 134.3
[M-H]- 252.89226 126.9
[M+NH4]+ 271.93336 147.9
[M+K]+ 292.86270 136.4
[M+H-H2O]+ 236.89680 123.6
[M+HCOO]- 298.89774 145.5
[M+CH3COO]- 312.91339 179.8
[M+Na-2H]- 274.87421 126.0
[M]+ 253.89899 129.5
[M]- 253.90009 129.5
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