CID 3043598

Phthalimide, 4,5,6,7-tetrachloro-n-anilino-

Structural Information

Molecular Formula
C14H6Cl4N2O2
SMILES
C1=CC=C(C=C1)NN2C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl
InChI
InChI=1S/C14H6Cl4N2O2/c15-9-7-8(10(16)12(18)11(9)17)14(22)20(13(7)21)19-6-4-2-1-3-5-6/h1-5,19H
InChIKey
KNZYFRIFUYFISM-UHFFFAOYSA-N
Compound name
2-anilino-4,5,6,7-tetrachloroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

373.91833 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.92561 180.7
[M+Na]+ 396.90755 193.4
[M-H]- 372.91105 184.3
[M+NH4]+ 391.95215 195.7
[M+K]+ 412.88149 186.0
[M+H-H2O]+ 356.91559 175.5
[M+HCOO]- 418.91653 183.3
[M+CH3COO]- 432.93218 190.6
[M+Na-2H]- 394.89300 179.4
[M]+ 373.91778 184.5
[M]- 373.91888 184.5
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