CID 57358058

Perfluoro-3,5,7,9,11-pentaoxadodecanoic acid

Structural Information

Molecular Formula
C7HF13O7
SMILES
C(=O)(C(OC(OC(OC(OC(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C7HF13O7/c8-2(9,1(21)22)23-4(13,14)25-6(17,18)27-7(19,20)26-5(15,16)24-3(10,11)12/h(H,21,22)
InChIKey
FVHYBZSZYQKTPP-UHFFFAOYSA-N
Compound name
2-[[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

7
Patents

443.95148 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.95876 148.9
[M+Na]+ 466.94070 153.5
[M-H]- 442.94420 156.7
[M+NH4]+ 461.98530 158.9
[M+K]+ 482.91464 156.3
[M+H-H2O]+ 426.94874 142.0
[M+HCOO]- 488.94968 168.3
[M+CH3COO]- 502.96533 221.1
[M+Na-2H]- 464.92615 147.3
[M]+ 443.95093 148.0
[M]- 443.95203 148.0
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