CID 11458210

5-phenyl-1h-indole

Structural Information

Molecular Formula
C14H11N
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C2)NC=C3
InChI
InChI=1S/C14H11N/c1-2-4-11(5-3-1)12-6-7-14-13(10-12)8-9-15-14/h1-10,15H
InChIKey
LPYXADUZSWBHCT-UHFFFAOYSA-N
Compound name
5-phenyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

405
Patents

193.08914 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09642 139.6
[M+Na]+ 216.07836 149.4
[M-H]- 192.08186 145.2
[M+NH4]+ 211.12296 159.9
[M+K]+ 232.05230 143.6
[M+H-H2O]+ 176.08640 132.6
[M+HCOO]- 238.08734 163.4
[M+CH3COO]- 252.10299 153.4
[M+Na-2H]- 214.06381 148.0
[M]+ 193.08859 138.9
[M]- 193.08969 138.9
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