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]+ 322.02992 170.3
[M+Na]+ 344.01186 182.1
[M-H]- 320.01536 176.6
[M+NH4]+ 339.05646 187.1
[M+K]+ 359.98580 175.2
[M+H-H2O]+ 304.01990 164.5
[M+HCOO]- 366.02084 183.5
[M+CH3COO]- 380.03649 182.6
[M+Na-2H]- 341.99731 175.0
[M]+ 321.02209 177.2
[M]- 321.02319 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.