CID 102740

2062-98-8

Structural Information

Molecular Formula
C6F12O2
SMILES
C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)F
InChI
InChI=1S/C6F12O2/c7-1(19)2(8,4(11,12)13)20-6(17,18)3(9,10)5(14,15)16
InChIKey
BCLQALQSEBVVAD-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl fluoride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

759
Patents

331.97067 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.97795 155.2
[M+Na]+ 354.95989 165.1
[M-H]- 330.96339 142.2
[M+NH4]+ 350.00449 168.0
[M+K]+ 370.93383 163.1
[M+H-H2O]+ 314.96793 142.7
[M+HCOO]- 376.96887 158.3
[M+CH3COO]- 390.98452 207.3
[M+Na-2H]- 352.94534 158.6
[M]+ 331.97012 138.2
[M]- 331.97122 138.2
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