CID 198976

Caswell no. 878a

Structural Information

Molecular Formula
C8Cl9N
SMILES
C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)N=C(C(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C8Cl9N/c9-1-2(10)4(12)6(5(13)3(1)11)18-7(14)8(15,16)17
InChIKey
NHGXWCCMYRPQOV-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-N-(2,3,4,5,6-pentachlorophenyl)ethanimidoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

424.72275 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.73003 216.0
[M+Na]+ 447.71197 224.1
[M+NH4]+ 442.75657 219.4
[M+K]+ 463.68591 215.7
[M-H]- 423.71547 213.7
[M+Na-2H]- 445.69742 215.1
[M]+ 424.72220 217.7
[M]- 424.72330 217.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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