CID 6809

Phthalimide

Structural Information

Molecular Formula
C8H5NO2
SMILES
C1=CC=C2C(=C1)C(=O)NC2=O
InChI
InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)
InChIKey
XKJCHHZQLQNZHY-UHFFFAOYSA-N
Compound name
isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

467
References

163289
Patents

147.03203 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.039306 125.5
[M+Na]+ 170.021248 135.8
[M-H]- 146.024754 128.1
[M+NH4]+ 165.065853 148.0
[M+K]+ 185.995188 132.5
[M+H-H2O]+ 130.029290 120.3
[M+HCOO]- 192.030231 147.8
[M+CH3COO]- 206.045881 170.6
[M+Na-2H]- 168.006696 132.2
[M]+ 147.03148142 124.1
[M]- 147.03257858 124.1
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