CID 117061710

2-benzyl-4-hydroxy-2,3-dihydro-1h-isoindole-1,3-dione

Structural Information

Molecular Formula
C15H11NO3
SMILES
C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)O
InChI
InChI=1S/C15H11NO3/c17-12-8-4-7-11-13(12)15(19)16(14(11)18)9-10-5-2-1-3-6-10/h1-8,17H,9H2
InChIKey
LSJDIDLQTWIFLE-UHFFFAOYSA-N
Compound name
2-benzyl-4-hydroxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

253.0739 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08118 154.4
[M+Na]+ 276.06312 164.5
[M-H]- 252.06662 160.3
[M+NH4]+ 271.10772 172.5
[M+K]+ 292.03706 159.6
[M+H-H2O]+ 236.07116 147.4
[M+HCOO]- 298.07210 175.8
[M+CH3COO]- 312.08775 192.2
[M+Na-2H]- 274.04857 158.2
[M]+ 253.07335 155.1
[M]- 253.07445 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe