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

No literature data available for this compound.

Patent stripe

patents stripe