CID 780001

N-(2-iodophenyl)methanesulfonamide

Structural Information

Molecular Formula
C7H8INO2S
SMILES
CS(=O)(=O)NC1=CC=CC=C1I
InChI
InChI=1S/C7H8INO2S/c1-12(10,11)9-7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKey
LDYJASRWKZXTBH-UHFFFAOYSA-N
Compound name
N-(2-iodophenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

104
Patents

296.93204 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.939316 150.4
[M+Na]+ 319.921258 152.1
[M-H]- 295.924764 147.6
[M+NH4]+ 314.965863 165.3
[M+K]+ 335.895198 155.1
[M+H-H2O]+ 279.929300 141.0
[M+HCOO]- 341.930241 165.1
[M+CH3COO]- 355.945891 189.2
[M+Na-2H]- 317.906706 143.6
[M]+ 296.93149142 149.5
[M]- 296.93258858 149.5
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