CID 613305

2-phenylindole-3-carboxaldehyde

Structural Information

Molecular Formula
C15H11NO
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=O
InChI
InChI=1S/C15H11NO/c17-10-13-12-8-4-5-9-14(12)16-15(13)11-6-2-1-3-7-11/h1-10,16H
InChIKey
IFIFXODAHZPTEY-UHFFFAOYSA-N
Compound name
2-phenyl-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

217
Patents

221.08406 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.091336 147.1
[M+Na]+ 244.073278 157.5
[M-H]- 220.076784 152.9
[M+NH4]+ 239.117883 166.4
[M+K]+ 260.047218 151.4
[M+H-H2O]+ 204.081320 139.9
[M+HCOO]- 266.082261 170.8
[M+CH3COO]- 280.097911 160.6
[M+Na-2H]- 242.058726 154.1
[M]+ 221.08351142 147.7
[M]- 221.08460858 147.7
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