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

literature stripe

Patent stripe

patents stripe