CID 18525911

4-iodotetrahydrothiopyran

Structural Information

Molecular Formula
C5H9IS
SMILES
C1CSCCC1I
InChI
InChI=1S/C5H9IS/c6-5-1-3-7-4-2-5/h5H,1-4H2
InChIKey
JVBIONNYIWEILC-UHFFFAOYSA-N
Compound name
4-iodothiane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

227.94698 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.95426 128.6
[M+Na]+ 250.93620 132.2
[M+NH4]+ 245.98080 134.9
[M+K]+ 266.91014 127.3
[M-H]- 226.93970 125.4
[M+Na-2H]- 248.92165 122.1
[M]+ 227.94643 127.6
[M]- 227.94753 127.6
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