CID 11219806

3-iodobenzene-1-sulfonamide

Structural Information

Molecular Formula
C6H6INO2S
SMILES
C1=CC(=CC(=C1)I)S(=O)(=O)N
InChI
InChI=1S/C6H6INO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)
InChIKey
VDQBCIQHOXPLFI-UHFFFAOYSA-N
Compound name
3-iodobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

282.9164 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.92368 147.3
[M+Na]+ 305.90562 149.3
[M-H]- 281.90912 144.1
[M+NH4]+ 300.95022 162.4
[M+K]+ 321.87956 152.2
[M+H-H2O]+ 265.91366 138.1
[M+HCOO]- 327.91460 161.6
[M+CH3COO]- 341.93025 185.7
[M+Na-2H]- 303.89107 139.8
[M]+ 282.91585 145.0
[M]- 282.91695 145.0
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