CID 71327879

90999-86-3

Structural Information

Molecular Formula
C7H7F7O
SMILES
C=COCCC(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C7H7F7O/c1-2-15-4-3-5(8,6(9,10)11)7(12,13)14/h2H,1,3-4H2
InChIKey
PPGVHBFAAPSLEH-UHFFFAOYSA-N
Compound name
4-ethenoxy-1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

240.03851 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.045786 143.2
[M+Na]+ 263.027728 152.0
[M-H]- 239.031234 134.9
[M+NH4]+ 258.072333 160.6
[M+K]+ 279.001668 149.8
[M+H-H2O]+ 223.035770 133.8
[M+HCOO]- 285.036711 154.9
[M+CH3COO]- 299.052361 191.4
[M+Na-2H]- 261.013176 147.9
[M]+ 240.03796142 134.5
[M]- 240.03905858 134.5
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

patents stripe