CID 144338

4,4,4-trifluoro-3-methylbut-2-enoic acid

Structural Information

Molecular Formula
C5H5F3O2
SMILES
CC(=CC(=O)O)C(F)(F)F
InChI
InChI=1S/C5H5F3O2/c1-3(2-4(9)10)5(6,7)8/h2H,1H3,(H,9,10)
InChIKey
QRRCTLYMABZQCS-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-3-methylbut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

228
Patents

154.02417 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.03145 135.7
[M+Na]+ 177.01339 141.8
[M+NH4]+ 172.05799 139.8
[M+K]+ 192.98733 139.0
[M-H]- 153.01689 128.8
[M+Na-2H]- 174.99884 135.8
[M]+ 154.02362 134.0
[M]- 154.02472 134.0
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

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