CID 2778845

1,1,2,3,3,3-hexafluoropropyl chlorofluoromethyl ether

Structural Information

Molecular Formula
C4H2ClF7O
SMILES
C(C(OC(F)Cl)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C4H2ClF7O/c5-2(7)13-4(11,12)1(6)3(8,9)10/h1-2H
InChIKey
GPRYVSOUOYKCHJ-UHFFFAOYSA-N
Compound name
1-[chloro(fluoro)methoxy]-1,1,2,3,3,3-hexafluoropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

627
Patents

233.96825 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.97553 131.8
[M+Na]+ 256.95747 141.4
[M-H]- 232.96097 123.8
[M+NH4]+ 252.00207 150.2
[M+K]+ 272.93141 138.8
[M+H-H2O]+ 216.96551 123.3
[M+HCOO]- 278.96645 139.8
[M+CH3COO]- 292.98210 188.9
[M+Na-2H]- 254.94292 134.8
[M]+ 233.96770 124.3
[M]- 233.96880 124.3
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

patents stripe