CID 2775518

Methyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate

Structural Information

Molecular Formula
C5H3F7O2
SMILES
COC(=O)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C5H3F7O2/c1-14-2(13)3(6,4(7,8)9)5(10,11)12/h1H3
InChIKey
CGMUKBZUGMXXEF-UHFFFAOYSA-N
Compound name
methyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

442
Patents

228.00212 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.00940 135.9
[M+Na]+ 250.99134 145.3
[M-H]- 226.99484 128.1
[M+NH4]+ 246.03594 153.7
[M+K]+ 266.96528 144.5
[M+H-H2O]+ 210.99938 126.8
[M+HCOO]- 273.00032 147.6
[M+CH3COO]- 287.01597 187.5
[M+Na-2H]- 248.97679 140.7
[M]+ 228.00157 127.1
[M]- 228.00267 127.1
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