CID 162199

3,3,3-trifluoropropyl 2-methylprop-2-enoate

Structural Information

Molecular Formula
C7H9F3O2
SMILES
CC(=C)C(=O)OCCC(F)(F)F
InChI
InChI=1S/C7H9F3O2/c1-5(2)6(11)12-4-3-7(8,9)10/h1,3-4H2,2H3
InChIKey
DCEGHEFYVNDALO-UHFFFAOYSA-N
Compound name
3,3,3-trifluoropropyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

516
Patents

182.05547 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06275 133.8
[M+Na]+ 205.04469 141.5
[M-H]- 181.04819 130.3
[M+NH4]+ 200.08929 153.8
[M+K]+ 221.01863 140.8
[M+H-H2O]+ 165.05273 127.1
[M+HCOO]- 227.05367 151.5
[M+CH3COO]- 241.06932 181.2
[M+Na-2H]- 203.03014 137.0
[M]+ 182.05492 131.3
[M]- 182.05602 131.3
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