CID 54768627

78762-71-7

Structural Information

Molecular Formula
C8H11F3O2
SMILES
CC(C)(C)OC(=O)/C=C/C(F)(F)F
InChI
InChI=1S/C8H11F3O2/c1-7(2,3)13-6(12)4-5-8(9,10)11/h4-5H,1-3H3/b5-4+
InChIKey
AMBVAEUIRPBJOA-SNAWJCMRSA-N
Compound name
tert-butyl (E)-4,4,4-trifluorobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

196.07112 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07840 138.1
[M+Na]+ 219.06034 146.2
[M-H]- 195.06384 134.9
[M+NH4]+ 214.10494 157.9
[M+K]+ 235.03428 145.3
[M+H-H2O]+ 179.06838 132.0
[M+HCOO]- 241.06932 155.0
[M+CH3COO]- 255.08497 182.5
[M+Na-2H]- 217.04579 142.9
[M]+ 196.07057 135.9
[M]- 196.07167 135.9
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

No patent data available for this compound.