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

112
Patents

285.04596 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.053236 163.4
[M+Na]+ 308.035178 175.3
[M-H]- 284.038684 171.2
[M+NH4]+ 303.079783 181.4
[M+K]+ 324.009118 170.0
[M+H-H2O]+ 268.043220 156.7
[M+HCOO]- 330.044161 182.9
[M+CH3COO]- 344.059811 195.2
[M+Na-2H]- 306.020626 168.8
[M]+ 285.04541142 169.2
[M]- 285.04650858 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