CID 45441

63918-78-5

Structural Information

Molecular Formula
C6H9Cl4FO
SMILES
C(CCF)COC(C(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C6H9Cl4FO/c7-5(6(8,9)10)12-4-2-1-3-11/h5H,1-4H2
InChIKey
SLMRBMKKQVBJEF-UHFFFAOYSA-N
Compound name
1-fluoro-4-(1,2,2,2-tetrachloroethoxy)butane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.93915 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.94643 146.7
[M+Na]+ 278.92837 154.6
[M-H]- 254.93187 142.8
[M+NH4]+ 273.97297 164.3
[M+K]+ 294.90231 149.6
[M+H-H2O]+ 238.93641 144.5
[M+HCOO]- 300.93735 146.8
[M+CH3COO]- 314.95300 192.8
[M+Na-2H]- 276.91382 149.0
[M]+ 255.93860 148.3
[M]- 255.93970 148.3
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.