CID 2778696

Perfluoro-3,6,9-trioxaundecane-1,11-dioic acid

Structural Information

Molecular Formula
C8H2F12O7
SMILES
C(=O)(C(OC(C(OC(C(OC(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C8H2F12O7/c9-3(10,1(21)22)25-5(13,14)7(17,18)27-8(19,20)6(15,16)26-4(11,12)2(23)24/h(H,21,22)(H,23,24)
InChIKey
QPFPCCRSQCFOIH-UHFFFAOYSA-N
Compound name
2-[2-[2-[carboxy(difluoro)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

38
Patents

437.96088 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.96816 150.5
[M+Na]+ 460.95010 154.9
[M-H]- 436.95360 159.6
[M+NH4]+ 455.99470 160.0
[M+K]+ 476.92404 158.0
[M+H-H2O]+ 420.95814 142.7
[M+HCOO]- 482.95908 166.5
[M+CH3COO]- 496.97473 219.3
[M+Na-2H]- 458.93555 148.4
[M]+ 437.96033 149.1
[M]- 437.96143 149.1
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