CID 97035

2-phenylisoindolin-1-one

Structural Information

Molecular Formula
C14H11NO
SMILES
C1C2=CC=CC=C2C(=O)N1C3=CC=CC=C3
InChI
InChI=1S/C14H11NO/c16-14-13-9-5-4-6-11(13)10-15(14)12-7-2-1-3-8-12/h1-9H,10H2
InChIKey
FIWLYGQHSKZFAQ-UHFFFAOYSA-N
Compound name
2-phenyl-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

171
Patents

209.08406 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09134 144.3
[M+Na]+ 232.07328 153.5
[M-H]- 208.07678 151.0
[M+NH4]+ 227.11788 164.6
[M+K]+ 248.04722 149.0
[M+H-H2O]+ 192.08132 136.9
[M+HCOO]- 254.08226 167.1
[M+CH3COO]- 268.09791 157.9
[M+Na-2H]- 230.05873 150.3
[M]+ 209.08351 143.5
[M]- 209.08461 143.5
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