CID 131849643

2,2,3,3,4,4,4-heptafluorobutyl but-3-enoate

Structural Information

Molecular Formula
C8H7F7O2
SMILES
C=CCC(=O)OCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H7F7O2/c1-2-3-5(16)17-4-6(9,10)7(11,12)8(13,14)15/h2H,1,3-4H2
InChIKey
TXTPUXJYPUSDTQ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluorobutyl but-3-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

268.03342 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.04070 148.5
[M+Na]+ 291.02264 156.9
[M-H]- 267.02614 140.1
[M+NH4]+ 286.06724 164.6
[M+K]+ 306.99658 154.7
[M+H-H2O]+ 251.03068 138.9
[M+HCOO]- 313.03162 159.4
[M+CH3COO]- 327.04727 196.0
[M+Na-2H]- 289.00809 151.7
[M]+ 268.03287 140.2
[M]- 268.03397 140.2
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.