CID 10193981

4-chloro-2,6-diiodophenol

Structural Information

Molecular Formula
C6H3ClI2O
SMILES
C1=C(C=C(C(=C1I)O)I)Cl
InChI
InChI=1S/C6H3ClI2O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKey
UCFDGPBRXPCSBW-UHFFFAOYSA-N
Compound name
4-chloro-2,6-diiodophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

379.7962 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.80348 139.6
[M+Na]+ 402.78542 135.6
[M-H]- 378.78892 130.9
[M+NH4]+ 397.83002 149.8
[M+K]+ 418.75936 143.7
[M+H-H2O]+ 362.79346 129.8
[M+HCOO]- 424.79440 148.1
[M+CH3COO]- 438.81005 198.9
[M+Na-2H]- 400.77087 127.8
[M]+ 379.79565 136.2
[M]- 379.79675 136.2
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