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

510
Patents

182.05547 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.062746 133.8
[M+Na]+ 205.044688 141.5
[M-H]- 181.048194 130.3
[M+NH4]+ 200.089293 153.8
[M+K]+ 221.018628 140.8
[M+H-H2O]+ 165.052730 127.1
[M+HCOO]- 227.053671 151.5
[M+CH3COO]- 241.069321 181.2
[M+Na-2H]- 203.030136 137.0
[M]+ 182.05492142 131.3
[M]- 182.05601858 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