CID 57347878

131628-34-7

Structural Information

Molecular Formula
C7H3F11O
SMILES
C=CC(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C7H3F11O/c1-2-3(8,5(11,12)13)19-7(17,18)4(9,10)6(14,15)16/h2H,1H2
InChIKey
BARAZKHHMOWWQY-UHFFFAOYSA-N
Compound name
3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)but-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

312.00082 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.00810 155.0
[M+Na]+ 334.99004 164.6
[M-H]- 310.99354 142.8
[M+NH4]+ 330.03464 168.8
[M+K]+ 350.96398 161.8
[M+H-H2O]+ 294.99808 143.0
[M+HCOO]- 356.99902 159.3
[M+CH3COO]- 371.01467 204.7
[M+Na-2H]- 332.97549 159.2
[M]+ 312.00027 138.9
[M]- 312.00137 138.9
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.