CID 646116

1-phenyl-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C15H11NO2
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3C=C2C(=O)O
InChI
InChI=1S/C15H11NO2/c17-15(18)14-10-11-6-4-5-9-13(11)16(14)12-7-2-1-3-8-12/h1-10H,(H,17,18)
InChIKey
WMHIWHPGXRRKJM-UHFFFAOYSA-N
Compound name
1-phenylindole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

100
Patents

237.07898 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08626 151.3
[M+Na]+ 260.06820 166.7
[M+NH4]+ 255.11280 160.2
[M+K]+ 276.04214 161.0
[M-H]- 236.07170 155.2
[M+Na-2H]- 258.05365 160.4
[M]+ 237.07843 154.7
[M]- 237.07953 154.7
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

patents stripe