CID 2782282

Tert-butyl 2-(trifluoromethyl)acrylate

Structural Information

Molecular Formula
C8H11F3O2
SMILES
CC(C)(C)OC(=O)C(=C)C(F)(F)F
InChI
InChI=1S/C8H11F3O2/c1-5(8(9,10)11)6(12)13-7(2,3)4/h1H2,2-4H3
InChIKey
RCSSZBOUAGQERK-UHFFFAOYSA-N
Compound name
tert-butyl 2-(trifluoromethyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

478
Patents

196.07112 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07840 136.9
[M+Na]+ 219.06034 144.8
[M-H]- 195.06384 133.8
[M+NH4]+ 214.10494 156.6
[M+K]+ 235.03428 144.3
[M+H-H2O]+ 179.06838 130.9
[M+HCOO]- 241.06932 152.9
[M+CH3COO]- 255.08497 184.0
[M+Na-2H]- 217.04579 140.6
[M]+ 196.07057 134.2
[M]- 196.07167 134.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe