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
1
Annotation Hits

0
References

3
Patents

240.03851 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.04579 174.0
[M+Na]+ 263.02773 176.4
[M+NH4]+ 258.07233 174.7
[M+K]+ 279.00167 172.9
[M-H]- 239.03123 165.1
[M+Na-2H]- 261.01318 171.6
[M]+ 240.03796 171.4
[M]- 240.03906 171.4
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