CID 2736187

3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl fluoride

Structural Information

Molecular Formula
C5H3F7O
SMILES
CC(C(=O)F)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C5H3F7O/c1-3(2(6)13,4(7,8)9)5(10,11)12/h1H3
InChIKey
LKMMDSMLDJMRSU-UHFFFAOYSA-N
Compound name
3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

212.00722 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.01450 132.6
[M+Na]+ 234.99644 142.0
[M-H]- 210.99994 124.8
[M+NH4]+ 230.04104 151.0
[M+K]+ 250.97038 140.7
[M+H-H2O]+ 195.00448 123.7
[M+HCOO]- 257.00542 144.0
[M+CH3COO]- 271.02107 186.2
[M+Na-2H]- 232.98189 137.2
[M]+ 212.00667 122.4
[M]- 212.00777 122.4
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