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 206.5
[M+Na]+ 447.71197 209.2
[M-H]- 423.71547 196.3
[M+NH4]+ 442.75657 211.5
[M+K]+ 463.68591 209.2
[M+H-H2O]+ 407.72001 202.9
[M+HCOO]- 469.72095 185.5
[M+CH3COO]- 483.73660 229.0
[M+Na-2H]- 445.69742 195.5
[M]+ 424.72220 193.5
[M]- 424.72330 193.5
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