CID 135416862

38337-19-8

Structural Information

Molecular Formula
C16H11NO2
SMILES
C1=CC=C(C=C1)N=CC2=C(C3=CC=CC=C3C2=O)O
InChI
InChI=1S/C16H11NO2/c18-15-12-8-4-5-9-13(12)16(19)14(15)10-17-11-6-2-1-3-7-11/h1-10,18H
InChIKey
YCFPANWURAKUJX-UHFFFAOYSA-N
Compound name
3-hydroxy-2-(phenyliminomethyl)inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

7
Patents

249.07898 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.08626 153.6
[M+Na]+ 272.06820 163.2
[M-H]- 248.07170 162.1
[M+NH4]+ 267.11280 173.5
[M+K]+ 288.04214 158.1
[M+H-H2O]+ 232.07624 146.6
[M+HCOO]- 294.07718 179.8
[M+CH3COO]- 308.09283 167.3
[M+Na-2H]- 270.05365 159.5
[M]+ 249.07843 154.8
[M]- 249.07953 154.8
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