CID 99128

2-phenylindolone

Structural Information

Molecular Formula
C14H9NO
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C14H9NO/c16-14-11-8-4-5-9-12(11)15-13(14)10-6-2-1-3-7-10/h1-9H
InChIKey
HWNZWDIFDUQEEC-UHFFFAOYSA-N
Compound name
2-phenylindol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

6
Patents

207.06842 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07570 143.0
[M+Na]+ 230.05764 153.2
[M-H]- 206.06114 150.0
[M+NH4]+ 225.10224 163.4
[M+K]+ 246.03158 148.5
[M+H-H2O]+ 190.06568 135.6
[M+HCOO]- 252.06662 167.2
[M+CH3COO]- 266.08227 157.1
[M+Na-2H]- 228.04309 150.0
[M]+ 207.06787 143.6
[M]- 207.06897 143.6
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