CID 59606716

5-chloro-6-iodochromane

Structural Information

Molecular Formula
C9H8ClIO
SMILES
C1CC2=C(C=CC(=C2Cl)I)OC1
InChI
InChI=1S/C9H8ClIO/c10-9-6-2-1-5-12-8(6)4-3-7(9)11/h3-4H,1-2,5H2
InChIKey
DABGDJXVQYMLHY-UHFFFAOYSA-N
Compound name
5-chloro-6-iodo-3,4-dihydro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

293.93085 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.93813 138.6
[M+Na]+ 316.92007 140.7
[M-H]- 292.92357 136.4
[M+NH4]+ 311.96467 154.2
[M+K]+ 332.89401 143.7
[M+H-H2O]+ 276.92811 130.3
[M+HCOO]- 338.92905 150.0
[M+CH3COO]- 352.94470 148.2
[M+Na-2H]- 314.90552 135.0
[M]+ 293.93030 136.7
[M]- 293.93140 136.7
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