CID 387213

Nsc680775

Structural Information

Molecular Formula
C11H14INO3S
SMILES
C1CC(C(OC1)NS(=O)(=O)C2=CC=CC=C2)I
InChI
InChI=1S/C11H14INO3S/c12-10-7-4-8-16-11(10)13-17(14,15)9-5-2-1-3-6-9/h1-3,5-6,10-11,13H,4,7-8H2
InChIKey
MTVNRSFCYYYLJW-UHFFFAOYSA-N
Compound name
N-(3-iodooxan-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.9739 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.98118 169.1
[M+Na]+ 389.96312 167.6
[M-H]- 365.96662 168.3
[M+NH4]+ 385.00772 179.4
[M+K]+ 405.93706 171.2
[M+H-H2O]+ 349.97116 158.3
[M+HCOO]- 411.97210 179.5
[M+CH3COO]- 425.98775 199.6
[M+Na-2H]- 387.94857 161.5
[M]+ 366.97335 164.9
[M]- 366.97445 164.9
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.