CID 139022380

7-(benzyloxy)-1h-indole-3-sulfonyl chloride

Structural Information

Molecular Formula
C15H12ClNO3S
SMILES
C1=CC=C(C=C1)COC2=CC=CC3=C2NC=C3S(=O)(=O)Cl
InChI
InChI=1S/C15H12ClNO3S/c16-21(18,19)14-9-17-15-12(14)7-4-8-13(15)20-10-11-5-2-1-3-6-11/h1-9,17H,10H2
InChIKey
NJFOENFJKZJICN-UHFFFAOYSA-N
Compound name
7-phenylmethoxy-1H-indole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.02264 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.029916 170.3
[M+Na]+ 344.011858 182.1
[M-H]- 320.015364 176.6
[M+NH4]+ 339.056463 187.1
[M+K]+ 359.985798 175.2
[M+H-H2O]+ 304.019900 164.5
[M+HCOO]- 366.020841 183.5
[M+CH3COO]- 380.036491 182.6
[M+Na-2H]- 341.997306 175.0
[M]+ 321.02209142 177.2
[M]- 321.02318858 177.2
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.