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]+ 196.112076 141.9
[M+Na]+ 218.094018 149.9
[M-H]- 194.097524 148.0
[M+NH4]+ 213.138623 162.5
[M+K]+ 234.067958 145.4
[M+H-H2O]+ 178.102060 134.3
[M+HCOO]- 240.103001 164.3
[M+CH3COO]- 254.118651 155.2
[M+Na-2H]- 216.079466 148.5
[M]+ 195.10425142 140.0
[M]- 195.10534858 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.