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

104
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 163.4
[M+Na]+ 308.03518 175.3
[M-H]- 284.03868 171.2
[M+NH4]+ 303.07978 181.4
[M+K]+ 324.00912 170.0
[M+H-H2O]+ 268.04322 156.7
[M+HCOO]- 330.04416 182.9
[M+CH3COO]- 344.05981 195.2
[M+Na-2H]- 306.02063 168.8
[M]+ 285.04541 169.2
[M]- 285.04651 169.2
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

patents stripe