CID 139597185

Dhopflca n=2

Structural Information

Molecular Formula
C7H4F8O3
SMILES
C(C(=O)O)OC(C(/C(=C/C(F)(F)F)/F)(F)F)(F)F
InChI
InChI=1S/C7H4F8O3/c8-3(1-5(9,10)11)6(12,13)7(14,15)18-2-4(16)17/h1H,2H2,(H,16,17)/b3-1-
InChIKey
SXYNRHMECFGTNT-IWQZZHSRSA-N
Compound name
2-[(Z)-1,1,2,2,3,5,5,5-octafluoropent-3-enoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

288.00327 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.01055 148.8
[M+Na]+ 310.99249 156.9
[M-H]- 286.99599 137.9
[M+NH4]+ 306.03709 163.0
[M+K]+ 326.96643 154.7
[M+H-H2O]+ 271.00053 138.6
[M+HCOO]- 333.00147 156.7
[M+CH3COO]- 347.01712 196.2
[M+Na-2H]- 308.97794 150.5
[M]+ 288.00272 137.6
[M]- 288.00382 137.6
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.