CID 72212561

4-iodo-3,6-dihydro-2h-pyran

Structural Information

Molecular Formula
C5H7IO
SMILES
C1COCC=C1I
InChI
InChI=1S/C5H7IO/c6-5-1-3-7-4-2-5/h1H,2-4H2
InChIKey
KNZSUJFOLGDAQV-UHFFFAOYSA-N
Compound name
4-iodo-3,6-dihydro-2H-pyran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

209.95416 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.96144 126.3
[M+Na]+ 232.94338 126.1
[M-H]- 208.94688 123.2
[M+NH4]+ 227.98798 142.9
[M+K]+ 248.91732 132.6
[M+H-H2O]+ 192.95142 117.7
[M+HCOO]- 254.95236 143.3
[M+CH3COO]- 268.96801 174.3
[M+Na-2H]- 230.92883 123.0
[M]+ 209.95361 121.6
[M]- 209.95471 121.6
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