CID 762600

4-nitro-n-phenylphthalimide

Structural Information

Molecular Formula
C14H8N2O4
SMILES
C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H8N2O4/c17-13-11-7-6-10(16(19)20)8-12(11)14(18)15(13)9-4-2-1-3-5-9/h1-8H
InChIKey
HNNCFMUZZXJQLR-UHFFFAOYSA-N
Compound name
5-nitro-2-phenylisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

152
Patents

268.0484 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.05568 156.3
[M+Na]+ 291.03762 165.1
[M-H]- 267.04112 163.6
[M+NH4]+ 286.08222 173.2
[M+K]+ 307.01156 157.1
[M+H-H2O]+ 251.04566 153.3
[M+HCOO]- 313.04660 180.1
[M+CH3COO]- 327.06225 190.9
[M+Na-2H]- 289.02307 162.8
[M]+ 268.04785 155.6
[M]- 268.04895 155.6
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