CID 21918080

1,1,1,2,3,3,3-heptafluoropropan-2-yl 2-methylprop-2-enoate

Structural Information

Molecular Formula
C7H5F7O2
SMILES
CC(=C)C(=O)OC(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C7H5F7O2/c1-3(2)4(15)16-5(8,6(9,10)11)7(12,13)14/h1H2,2H3
InChIKey
DAUQEQSACMZHDS-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3,3-heptafluoropropan-2-yl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

519
Patents

254.01778 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.02506 142.5
[M+Na]+ 277.00700 151.3
[M-H]- 253.01050 134.5
[M+NH4]+ 272.05160 159.2
[M+K]+ 292.98094 149.9
[M+H-H2O]+ 237.01504 133.4
[M+HCOO]- 299.01598 152.9
[M+CH3COO]- 313.03163 193.2
[M+Na-2H]- 274.99245 145.3
[M]+ 254.01723 133.2
[M]- 254.01833 133.2
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

patents stripe