CID 99603

1h-indole-3-acetic acid, 2-chloro-1-phenyl-

Structural Information

Molecular Formula
C16H12ClNO2
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C2Cl)CC(=O)O
InChI
InChI=1S/C16H12ClNO2/c17-16-13(10-15(19)20)12-8-4-5-9-14(12)18(16)11-6-2-1-3-7-11/h1-9H,10H2,(H,19,20)
InChIKey
VQBVHVQOXIDVBS-UHFFFAOYSA-N
Compound name
2-(2-chloro-1-phenylindol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.05566 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.06294 161.9
[M+Na]+ 308.04488 178.3
[M+NH4]+ 303.08948 170.9
[M+K]+ 324.01882 171.6
[M-H]- 284.04838 165.9
[M+Na-2H]- 306.03033 170.5
[M]+ 285.05511 165.8
[M]- 285.05621 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

literature stripe

Patent stripe

No patent data available for this compound.