CID 6380450

2-iodo-1-propenyl p-tolyl sulfone

Structural Information

Molecular Formula
C10H11IO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)/C=C(\C)/I
InChI
InChI=1S/C10H11IO2S/c1-8-3-5-10(6-4-8)14(12,13)7-9(2)11/h3-7H,1-2H3/b9-7+
InChIKey
FFCFIGZUKJFQOG-VQHVLOKHSA-N
Compound name
1-[(E)-2-iodoprop-1-enyl]sulfonyl-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.95245 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.95973 158.7
[M+Na]+ 344.94167 162.7
[M+NH4]+ 339.98627 162.0
[M+K]+ 360.91561 158.3
[M-H]- 320.94517 153.3
[M+Na-2H]- 342.92712 151.1
[M]+ 321.95190 157.1
[M]- 321.95300 157.1
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

No patent data available for this compound.