CID 35346

4,7-dihydro-2-phenyl-2h-isoindole

Structural Information

Molecular Formula
C14H13N
SMILES
C1C=CCC2=CN(C=C21)C3=CC=CC=C3
InChI
InChI=1S/C14H13N/c1-2-8-14(9-3-1)15-10-12-6-4-5-7-13(12)11-15/h1-5,8-11H,6-7H2
InChIKey
LLRPFDUXMUEBTG-UHFFFAOYSA-N
Compound name
2-phenyl-4,7-dihydroisoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.1048 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.11208 141.9
[M+Na]+ 218.09402 149.9
[M-H]- 194.09752 148.0
[M+NH4]+ 213.13862 162.5
[M+K]+ 234.06796 145.4
[M+H-H2O]+ 178.10206 134.3
[M+HCOO]- 240.10300 164.3
[M+CH3COO]- 254.11865 155.2
[M+Na-2H]- 216.07947 148.5
[M]+ 195.10425 140.0
[M]- 195.10535 140.0
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

No patent data available for this compound.