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

110
Patents

296.93204 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.93932 150.4
[M+Na]+ 319.92126 152.1
[M-H]- 295.92476 147.6
[M+NH4]+ 314.96586 165.3
[M+K]+ 335.89520 155.1
[M+H-H2O]+ 279.92930 141.0
[M+HCOO]- 341.93024 165.1
[M+CH3COO]- 355.94589 189.2
[M+Na-2H]- 317.90671 143.6
[M]+ 296.93149 149.5
[M]- 296.93259 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