CID 135562695

Einecs 265-962-8

Structural Information

Molecular Formula
C22H5Cl9N4O2
SMILES
C1=CC(=C(C=C1N=C2C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)N2)Cl)N=C4C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)N4
InChI
InChI=1S/C22H5Cl9N4O2/c23-5-3-4(32-19-7-9(21(36)34-19)13(26)17(30)15(28)11(7)24)1-2-6(5)33-20-8-10(22(37)35-20)14(27)18(31)16(29)12(8)25/h1-3H,(H,32,34,36)(H,33,35,37)
InChIKey
KAVTZNAONUOIDY-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrachloro-3-[3-chloro-4-[(4,5,6,7-tetrachloro-3-oxoisoindol-1-ylidene)amino]phenyl]iminoisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

671.7609 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 672.76818 245.9
[M+Na]+ 694.75012 255.2
[M+NH4]+ 689.79472 248.4
[M+K]+ 710.72406 246.9
[M-H]- 670.75362 245.5
[M+Na-2H]- 692.73557 243.7
[M]+ 671.76035 248.2
[M]- 671.76145 248.2
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

No patent data available for this compound.