CID 17750387

1-(benzenesulfonyl)-1h-indole-5-carbaldehyde

Structural Information

Molecular Formula
C15H11NO3S
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC(=C3)C=O
InChI
InChI=1S/C15H11NO3S/c17-11-12-6-7-15-13(10-12)8-9-16(15)20(18,19)14-4-2-1-3-5-14/h1-11H
InChIKey
LQORWTDKWNXPCY-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)indole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

285.04596 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.05324 162.1
[M+Na]+ 308.03518 177.1
[M+NH4]+ 303.07978 170.4
[M+K]+ 324.00912 169.6
[M-H]- 284.03868 165.3
[M+Na-2H]- 306.02063 170.6
[M]+ 285.04541 165.8
[M]- 285.04651 165.8
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