CID 5028375

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

Structural Information

Molecular Formula
C15H11NO2
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C2)C=C(N3)C(=O)O
InChI
InChI=1S/C15H11NO2/c17-15(18)14-9-12-7-6-11(8-13(12)16-14)10-4-2-1-3-5-10/h1-9,16H,(H,17,18)
InChIKey
BPQUFUQBSLYLLO-UHFFFAOYSA-N
Compound name
6-phenyl-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

237.07898 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08626 151.9
[M+Na]+ 260.06820 166.7
[M+NH4]+ 255.11280 160.4
[M+K]+ 276.04214 161.3
[M-H]- 236.07170 155.3
[M+Na-2H]- 258.05365 160.3
[M]+ 237.07843 155.0
[M]- 237.07953 155.0
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