CID 139596622

Dhopflca n=5

Structural Information

Molecular Formula
C10H4F14O3
SMILES
C(C(=O)O)OC(C(C(C(C(/C(=C/C(F)(F)F)/F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H4F14O3/c11-3(1-5(12,13)14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)27-2-4(25)26/h1H,2H2,(H,25,26)/b3-1-
InChIKey
PMMJGCIRIFSZLP-IWQZZHSRSA-N
Compound name
2-[(Z)-1,1,2,2,3,3,4,4,5,5,6,8,8,8-tetradecafluorooct-6-enoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

437.99368 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.00096 156.7
[M+Na]+ 460.98290 163.5
[M-H]- 436.98640 163.1
[M+NH4]+ 456.02750 165.6
[M+K]+ 476.95684 168.0
[M+H-H2O]+ 420.99094 165.0
[M+HCOO]- 482.99188 173.2
[M+CH3COO]- 497.00753 223.6
[M+Na-2H]- 458.96835 155.7
[M]+ 437.99313 154.0
[M]- 437.99423 154.0
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

No patent data available for this compound.