CID 82592

10372-98-2

Structural Information

Molecular Formula
C5F10O
SMILES
C(=C(F)F)(OC(C(F)(F)F)(C(F)(F)F)F)F
InChI
InChI=1S/C5F10O/c6-1(7)2(8)16-3(9,4(10,11)12)5(13,14)15
InChIKey
BJURIXFNPBYZNB-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3,3-heptafluoro-2-(1,2,2-trifluoroethenoxy)propane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

40
Patents

265.97894 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.98622 141.4
[M+Na]+ 288.96816 150.7
[M-H]- 264.97166 129.9
[M+NH4]+ 284.01276 157.1
[M+K]+ 304.94210 148.7
[M+H-H2O]+ 248.97620 129.7
[M+HCOO]- 310.97714 148.6
[M+CH3COO]- 324.99279 195.5
[M+Na-2H]- 286.95361 142.9
[M]+ 265.97839 126.2
[M]- 265.97949 126.2
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