CID 4136909

N-(benzyloxycarbonyloxy)-phthalimide

Structural Information

Molecular Formula
C16H11NO5
SMILES
C1=CC=C(C=C1)COC(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C16H11NO5/c18-14-12-8-4-5-9-13(12)15(19)17(14)22-16(20)21-10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKey
QHZNYGVZDCMWKX-UHFFFAOYSA-N
Compound name
benzyl (1,3-dioxoisoindol-2-yl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

297.06372 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.07100 163.8
[M+Na]+ 320.05294 172.5
[M-H]- 296.05644 170.6
[M+NH4]+ 315.09754 180.2
[M+K]+ 336.02688 169.5
[M+H-H2O]+ 280.06098 155.8
[M+HCOO]- 342.06192 185.8
[M+CH3COO]- 356.07757 199.6
[M+Na-2H]- 318.03839 167.2
[M]+ 297.06317 167.5
[M]- 297.06427 167.5
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