CID 226063

2-phenylisoindoline

Structural Information

Molecular Formula
C14H13N
SMILES
C1C2=CC=CC=C2CN1C3=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/h1-9H,10-11H2
InChIKey
QQULFDKOSHUTTM-UHFFFAOYSA-N
Compound name
2-phenyl-1,3-dihydroisoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

195.1048 Da
Monoisotopic Mass

3.1
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

patents stripe