CID 84845

3-benzoylindole

Structural Information

Molecular Formula
C15H11NO
SMILES
C1=CC=C(C=C1)C(=O)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C15H11NO/c17-15(11-6-2-1-3-7-11)13-10-16-14-9-5-4-8-12(13)14/h1-10,16H
InChIKey
ADHQLIGSIQGNBW-UHFFFAOYSA-N
Compound name
1H-indol-3-yl(phenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

108
Patents

221.08406 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.09134 147.5
[M+Na]+ 244.07328 156.6
[M-H]- 220.07678 153.0
[M+NH4]+ 239.11788 166.3
[M+K]+ 260.04722 151.0
[M+H-H2O]+ 204.08132 140.2
[M+HCOO]- 266.08226 170.2
[M+CH3COO]- 280.09791 160.5
[M+Na-2H]- 242.05873 154.0
[M]+ 221.08351 147.1
[M]- 221.08461 147.1
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