CID 3735051

1-iodo-3-methanesulfonylbenzene

Structural Information

Molecular Formula
C7H7IO2S
SMILES
CS(=O)(=O)C1=CC(=CC=C1)I
InChI
InChI=1S/C7H7IO2S/c1-11(9,10)7-4-2-3-6(8)5-7/h2-5H,1H3
InChIKey
XTSLBDJQPAYELB-UHFFFAOYSA-N
Compound name
1-iodo-3-methylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

281.92114 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.92842 143.0
[M+Na]+ 304.91036 145.7
[M-H]- 280.91386 140.4
[M+NH4]+ 299.95496 159.0
[M+K]+ 320.88430 149.0
[M+H-H2O]+ 264.91840 134.3
[M+HCOO]- 326.91934 157.0
[M+CH3COO]- 340.93499 184.7
[M+Na-2H]- 302.89581 136.1
[M]+ 281.92059 143.0
[M]- 281.92169 143.0
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