CID 21707322

38471-83-9

Structural Information

Molecular Formula
C7H7F7O
SMILES
CC(=C)COC(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C7H7F7O/c1-4(2)3-15-5(8,6(9,10)11)7(12,13)14/h1,3H2,2H3
InChIKey
VMDVHHXKJFTLTD-UHFFFAOYSA-N
Compound name
3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-2-methylprop-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

240.03851 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.04579 142.3
[M+Na]+ 263.02773 150.9
[M-H]- 239.03123 134.1
[M+NH4]+ 258.07233 159.6
[M+K]+ 279.00167 149.1
[M+H-H2O]+ 223.03577 133.0
[M+HCOO]- 285.03671 153.0
[M+CH3COO]- 299.05236 192.2
[M+Na-2H]- 261.01318 145.8
[M]+ 240.03796 132.9
[M]- 240.03906 132.9
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

patents stripe