CID 12035248

648-43-1

Structural Information

Molecular Formula
C7H7F7O2
SMILES
C1C(O1)COCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H7F7O2/c8-5(9,3-15-1-4-2-16-4)6(10,11)7(12,13)14/h4H,1-3H2
InChIKey
SRPBEKWTJQBCPF-UHFFFAOYSA-N
Compound name
2-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

256.03342 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.04070 136.5
[M+Na]+ 279.02264 146.1
[M-H]- 255.02614 133.1
[M+NH4]+ 274.06724 147.2
[M+K]+ 294.99658 144.6
[M+H-H2O]+ 239.03068 125.4
[M+HCOO]- 301.03162 147.9
[M+CH3COO]- 315.04727 196.0
[M+Na-2H]- 277.00809 143.5
[M]+ 256.03287 132.2
[M]- 256.03397 132.2
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.