CID 11674514

1-(tert-butylsulfonyl)-2-iodosylbenzene

Structural Information

Molecular Formula
C10H13IO3S
SMILES
CC(C)(C)S(=O)(=O)C1=CC=CC=C1I=O
InChI
InChI=1S/C10H13IO3S/c1-10(2,3)15(13,14)9-7-5-4-6-8(9)11-12/h4-7H,1-3H3
InChIKey
XWEUSGHBSSSDCM-UHFFFAOYSA-N
Compound name
1-tert-butylsulfonyl-2-iodosylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

339.963 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.97028 161.6
[M+Na]+ 362.95222 163.4
[M-H]- 338.95572 158.7
[M+NH4]+ 357.99682 175.3
[M+K]+ 378.92616 166.4
[M+H-H2O]+ 322.96026 152.6
[M+HCOO]- 384.96120 173.5
[M+CH3COO]- 398.97685 194.1
[M+Na-2H]- 360.93767 154.1
[M]+ 339.96245 162.6
[M]- 339.96355 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe