CID 171642

2-(1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy)-2,3,3,3-tetrafluoropropanoyl fluoride

Structural Information

Molecular Formula
C7F14O3
SMILES
C(=O)(C(C(F)(F)F)(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)F)F
InChI
InChI=1S/C7F14O3/c8-1(22)2(9,4(12,13)14)23-5(15,16)3(10,11)6(17,18)24-7(19,20)21
InChIKey
WTOHYTBQHVZYMH-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoyl fluoride
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

6
Patents

397.9624 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.96968 169.3
[M+Na]+ 420.95162 179.0
[M-H]- 396.95512 151.6
[M+NH4]+ 415.99622 155.3
[M+K]+ 436.92556 177.1
[M+H-H2O]+ 380.95966 155.4
[M+HCOO]- 442.96060 166.5
[M+CH3COO]- 456.97625 218.3
[M+Na-2H]- 418.93707 172.5
[M]+ 397.96185 144.9
[M]- 397.96295 144.9
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