CID 21830928

N-(3-iodophenyl)methanesulfonamide

Structural Information

Molecular Formula
C7H8INO2S
SMILES
CS(=O)(=O)NC1=CC(=CC=C1)I
InChI
InChI=1S/C7H8INO2S/c1-12(10,11)9-7-4-2-3-6(8)5-7/h2-5,9H,1H3
InChIKey
PZMRAQUKSREUQN-UHFFFAOYSA-N
Compound name
N-(3-iodophenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

296.93204 Da
Monoisotopic Mass

2.4
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

No literature data available for this compound.

Patent stripe

patents stripe