CID 131853136

Dtxsid90896691

Structural Information

Molecular Formula
C8H7F7O2
SMILES
CCOC(=O)/C=C/C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H7F7O2/c1-2-17-5(16)3-4-6(9,10)7(11,12)8(13,14)15/h3-4H,2H2,1H3/b4-3+
InChIKey
WSGUVPFPADUHPU-ONEGZZNKSA-N
Compound name
ethyl (E)-4,4,5,5,6,6,6-heptafluorohex-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

268.03342 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.04070 148.6
[M+Na]+ 291.02264 157.2
[M-H]- 267.02614 140.3
[M+NH4]+ 286.06724 164.8
[M+K]+ 306.99658 155.0
[M+H-H2O]+ 251.03068 139.1
[M+HCOO]- 313.03162 159.5
[M+CH3COO]- 327.04727 195.3
[M+Na-2H]- 289.00809 151.9
[M]+ 268.03287 140.3
[M]- 268.03397 140.3
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.