CID 384838

Nsc675356

Structural Information

Molecular Formula
C10H12INO3S
SMILES
CS(=O)(=O)N1CC(C2=C1C=C(C=C2)O)CI
InChI
InChI=1S/C10H12INO3S/c1-16(14,15)12-6-7(5-11)9-3-2-8(13)4-10(9)12/h2-4,7,13H,5-6H2,1H3
InChIKey
XIJLTHVJWINIFB-UHFFFAOYSA-N
Compound name
3-(iodomethyl)-1-methylsulfonyl-2,3-dihydroindol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.95825 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.96553 159.0
[M+Na]+ 375.94747 162.0
[M-H]- 351.95097 154.7
[M+NH4]+ 370.99207 173.5
[M+K]+ 391.92141 164.3
[M+H-H2O]+ 335.95551 150.7
[M+HCOO]- 397.95645 169.1
[M+CH3COO]- 411.97210 195.3
[M+Na-2H]- 373.93292 150.0
[M]+ 352.95770 159.5
[M]- 352.95880 159.5
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

No patent data available for this compound.