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

25
Patents

209.95416 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.961436 126.3
[M+Na]+ 232.943378 126.1
[M-H]- 208.946884 123.2
[M+NH4]+ 227.987983 142.9
[M+K]+ 248.917318 132.6
[M+H-H2O]+ 192.951420 117.7
[M+HCOO]- 254.952361 143.3
[M+CH3COO]- 268.968011 174.3
[M+Na-2H]- 230.928826 123.0
[M]+ 209.95361142 121.6
[M]- 209.95470858 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