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 155.0
[M+Na]+ 344.94167 156.5
[M-H]- 320.94517 152.0
[M+NH4]+ 339.98627 169.4
[M+K]+ 360.91561 159.0
[M+H-H2O]+ 304.94971 145.9
[M+HCOO]- 366.95065 167.3
[M+CH3COO]- 380.96630 192.4
[M+Na-2H]- 342.92712 145.7
[M]+ 321.95190 154.7
[M]- 321.95300 154.7
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.