CID 18525911

281204-90-8

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

32
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 129.3
[M+Na]+ 250.93620 128.3
[M-H]- 226.93970 125.5
[M+NH4]+ 245.98080 146.9
[M+K]+ 266.91014 132.9
[M+H-H2O]+ 210.94424 120.8
[M+HCOO]- 272.94518 140.6
[M+CH3COO]- 286.96083 176.6
[M+Na-2H]- 248.92165 120.9
[M]+ 227.94643 123.5
[M]- 227.94753 123.5
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