CID 5153504

1-(4-chlorophenyl)-2-hydroxy-2-(1h-indol-3-yl)ethanone

Structural Information

Molecular Formula
C16H12ClNO2
SMILES
C1=CC=C2C(=C1)C(=CN2)C(C(=O)C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C16H12ClNO2/c17-11-7-5-10(6-8-11)15(19)16(20)13-9-18-14-4-2-1-3-12(13)14/h1-9,16,18,20H
InChIKey
FCFVKMVRBGXHIB-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-hydroxy-2-(1H-indol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

285.05566 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.06294 162.0
[M+Na]+ 308.04488 171.4
[M-H]- 284.04838 166.3
[M+NH4]+ 303.08948 178.6
[M+K]+ 324.01882 164.3
[M+H-H2O]+ 268.05292 155.5
[M+HCOO]- 330.05386 177.5
[M+CH3COO]- 344.06951 173.6
[M+Na-2H]- 306.03033 165.3
[M]+ 285.05511 163.7
[M]- 285.05621 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.