CID 2760333

Perfluoro-3,6,9-trioxatridecanoic acid

Structural Information

Molecular Formula
C10HF19O5
SMILES
C(=O)(C(OC(C(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C10HF19O5/c11-2(12,1(30)31)32-7(22,23)8(24,25)34-10(28,29)9(26,27)33-6(20,21)4(15,16)3(13,14)5(17,18)19/h(H,30,31)
InChIKey
GDQLSTSWOFAQNO-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

47
Patents

561.9521 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 562.95938 167.4
[M+Na]+ 584.94132 171.1
[M-H]- 560.94482 178.1
[M+NH4]+ 579.98592 179.1
[M+K]+ 600.91526 180.4
[M+H-H2O]+ 544.94936 156.4
[M+HCOO]- 606.95030 185.4
[M+CH3COO]- 620.96595 242.0
[M+Na-2H]- 582.92677 167.1
[M]+ 561.95155 166.1
[M]- 561.95265 166.1
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