CID 15790442

172897-75-5

Structural Information

Molecular Formula
C8F16O3
SMILES
C(=O)(C(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C8F16O3/c9-1(25)2(10,11)26-7(21,22)8(23,24)27-6(19,20)4(14,15)3(12,13)5(16,17)18
InChIKey
JKKXNKBRXVZRAQ-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]acetyl fluoride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

447.9592 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.96648 152.6
[M+Na]+ 470.94842 159.2
[M-H]- 446.95192 159.8
[M+NH4]+ 465.99302 163.1
[M+K]+ 486.92236 164.8
[M+H-H2O]+ 430.95646 144.9
[M+HCOO]- 492.95740 172.7
[M+CH3COO]- 506.97305 227.6
[M+Na-2H]- 468.93387 153.1
[M]+ 447.95865 151.4
[M]- 447.95975 151.4
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