CID 711638

2-(1h-indol-2-yl)benzoic acid

Structural Information

Molecular Formula
C15H11NO2
SMILES
C1=CC=C2C(=C1)C=C(N2)C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C15H11NO2/c17-15(18)12-7-3-2-6-11(12)14-9-10-5-1-4-8-13(10)16-14/h1-9,16H,(H,17,18)
InChIKey
LCESEHLZWDWPKJ-UHFFFAOYSA-N
Compound name
2-(1H-indol-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

16
Patents

237.07898 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.086256 150.9
[M+Na]+ 260.068198 160.3
[M-H]- 236.071704 155.5
[M+NH4]+ 255.112803 168.6
[M+K]+ 276.042138 154.5
[M+H-H2O]+ 220.076240 143.9
[M+HCOO]- 282.077181 172.3
[M+CH3COO]- 296.092831 163.5
[M+Na-2H]- 258.053646 156.3
[M]+ 237.07843142 150.5
[M]- 237.07952858 150.5
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