CID 2741892

33244-57-4

Structural Information

Molecular Formula
C15H13NO
SMILES
C1CNC2=C1C=CC=C2C(=O)C3=CC=CC=C3
InChI
InChI=1S/C15H13NO/c17-15(12-5-2-1-3-6-12)13-8-4-7-11-9-10-16-14(11)13/h1-8,16H,9-10H2
InChIKey
ZZOVZJBWXVZVLN-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-indol-7-yl(phenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

36
Patents

223.09972 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.106996 149.6
[M+Na]+ 246.088938 156.6
[M-H]- 222.092444 154.4
[M+NH4]+ 241.133543 168.2
[M+K]+ 262.062878 151.5
[M+H-H2O]+ 206.096980 142.2
[M+HCOO]- 268.097921 169.5
[M+CH3COO]- 282.113571 161.6
[M+Na-2H]- 244.074386 154.2
[M]+ 223.09917142 146.3
[M]- 223.10026858 146.3
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