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

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 143.2
[M+Na]+ 263.02773 152.0
[M-H]- 239.03123 134.9
[M+NH4]+ 258.07233 160.6
[M+K]+ 279.00167 149.8
[M+H-H2O]+ 223.03577 133.8
[M+HCOO]- 285.03671 154.9
[M+CH3COO]- 299.05236 191.4
[M+Na-2H]- 261.01318 147.9
[M]+ 240.03796 134.5
[M]- 240.03906 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