CID 73669

Tridiphane

Structural Information

Molecular Formula
C10H7Cl5O
SMILES
C1C(O1)(CC(Cl)(Cl)Cl)C2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C10H7Cl5O/c11-7-1-6(2-8(12)3-7)9(5-16-9)4-10(13,14)15/h1-3H,4-5H2
InChIKey
IBZHOAONZVJLOB-UHFFFAOYSA-N
Compound name
2-(3,5-dichlorophenyl)-2-(2,2,2-trichloroethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

8
References

15349
Patents

317.89395 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.90123 153.1
[M+Na]+ 340.88317 162.0
[M-H]- 316.88667 155.0
[M+NH4]+ 335.92777 163.7
[M+K]+ 356.85711 158.8
[M+H-H2O]+ 300.89121 149.7
[M+HCOO]- 362.89215 149.2
[M+CH3COO]- 376.90780 204.8
[M+Na-2H]- 338.86862 156.5
[M]+ 317.89340 155.9
[M]- 317.89450 155.9
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