CID 165352615

25600-48-0

Structural Information

Molecular Formula
C8H8Cl6O4
SMILES
C(C#CCOC(C(Cl)(Cl)Cl)O)OC(C(Cl)(Cl)Cl)O
InChI
InChI=1S/C8H8Cl6O4/c9-7(10,11)5(15)17-3-1-2-4-18-6(16)8(12,13)14/h5-6,15-16H,3-4H2
InChIKey
ULFHVUZQXVVBGU-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-1-[4-(2,2,2-trichloro-1-hydroxyethoxy)but-2-ynoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.85538 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.86266 170.0
[M+Na]+ 400.84460 177.3
[M+NH4]+ 395.88920 171.8
[M+K]+ 416.81854 171.5
[M-H]- 376.84810 160.3
[M+Na-2H]- 398.83005 168.6
[M]+ 377.85483 168.7
[M]- 377.85593 168.7
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.