CID 139597587

Dhopflca n=3

Structural Information

Molecular Formula
C8H4F10O3
SMILES
C(C(=O)O)OC(C(C(/C(=C/C(F)(F)F)/F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H4F10O3/c9-3(1-5(10,11)12)6(13,14)7(15,16)8(17,18)21-2-4(19)20/h1H,2H2,(H,19,20)/b3-1-
InChIKey
WCTTXJARBKPVRT-IWQZZHSRSA-N
Compound name
2-[(Z)-1,1,2,2,3,3,4,6,6,6-decafluorohex-4-enoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

338.00006 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.00734 158.4
[M+Na]+ 360.98928 166.6
[M-H]- 336.99278 145.4
[M+NH4]+ 356.03388 170.4
[M+K]+ 376.96322 163.9
[M+H-H2O]+ 320.99732 146.9
[M+HCOO]- 382.99826 162.4
[M+CH3COO]- 397.01391 205.6
[M+Na-2H]- 358.97473 159.7
[M]+ 337.99951 144.0
[M]- 338.00061 144.0
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.