CID 92489

56672-52-7

Structural Information

Molecular Formula
C4ClF7O
SMILES
C(=C(F)F)(OC(C(F)(F)Cl)(F)F)F
InChI
InChI=1S/C4ClF7O/c5-3(9,10)4(11,12)13-2(8)1(6)7
InChIKey
CBHVWKVADDVCHE-UHFFFAOYSA-N
Compound name
1-chloro-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

231.95259 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.959866 130.3
[M+Na]+ 254.941808 140.2
[M-H]- 230.945314 122.3
[M+NH4]+ 249.986413 148.6
[M+K]+ 270.915748 136.9
[M+H-H2O]+ 214.949850 121.8
[M+HCOO]- 276.950791 138.5
[M+CH3COO]- 290.966441 187.9
[M+Na-2H]- 252.927256 133.4
[M]+ 231.95204142 122.1
[M]- 231.95313858 122.1
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