CID 87587204

(z)-3,4,4,5,5,6,6,6-octafluoro-2-hexenoic acid

Structural Information

Molecular Formula
C6H2F8O2
SMILES
C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\F)\C(=O)O
InChI
InChI=1S/C6H2F8O2/c7-2(1-3(15)16)4(8,9)5(10,11)6(12,13)14/h1H,(H,15,16)/b2-1-
InChIKey
CMFAKTRZLATJOA-UPHRSURJSA-N
Compound name
(Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

257.9927 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.999976 141.1
[M+Na]+ 280.981918 149.8
[M-H]- 256.985424 130.5
[M+NH4]+ 276.026523 156.7
[M+K]+ 296.955858 147.3
[M+H-H2O]+ 240.989960 131.4
[M+HCOO]- 302.990901 149.2
[M+CH3COO]- 317.006551 191.3
[M+Na-2H]- 278.967366 143.2
[M]+ 257.99215142 128.2
[M]- 257.99324858 128.2
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