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 143.2
[M+Na]+ 322.90096 146.7
[M-H]- 298.90446 139.6
[M+NH4]+ 317.94556 158.7
[M+K]+ 338.87490 149.6
[M+H-H2O]+ 282.90900 133.8
[M+HCOO]- 344.90994 156.2
[M+CH3COO]- 358.92559 188.3
[M+Na-2H]- 320.88641 135.4
[M]+ 299.91119 142.5
[M]- 299.91229 142.5
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.