CID 182029

1-phenyl-1h-indole

Structural Information

Molecular Formula
C14H11N
SMILES
C1=CC=C(C=C1)N2C=CC3=CC=CC=C32
InChI
InChI=1S/C14H11N/c1-2-7-13(8-3-1)15-11-10-12-6-4-5-9-14(12)15/h1-11H
InChIKey
YBFCBQMICVOSRW-UHFFFAOYSA-N
Compound name
1-phenylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2144
Patents

193.08914 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09642 139.5
[M+Na]+ 216.07836 149.7
[M-H]- 192.08186 146.5
[M+NH4]+ 211.12296 160.5
[M+K]+ 232.05230 144.8
[M+H-H2O]+ 176.08640 132.1
[M+HCOO]- 238.08734 164.8
[M+CH3COO]- 252.10299 154.0
[M+Na-2H]- 214.06381 148.3
[M]+ 193.08859 140.5
[M]- 193.08969 140.5
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