CID 138987597

5-iodo-2-methylbenzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C7H6FIO2S
SMILES
CC1=C(C=C(C=C1)I)S(=O)(=O)F
InChI
InChI=1S/C7H6FIO2S/c1-5-2-3-6(9)4-7(5)12(8,10)11/h2-4H,1H3
InChIKey
YZNJKIBBPHYWKI-UHFFFAOYSA-N
Compound name
5-iodo-2-methylbenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.91174 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.91902 150.1
[M+Na]+ 322.90096 154.3
[M+NH4]+ 317.94556 153.5
[M+K]+ 338.87490 150.2
[M-H]- 298.90446 143.9
[M+Na-2H]- 320.88641 142.7
[M]+ 299.91119 148.3
[M]- 299.91229 148.3
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.