CID 69789

Flupropanate

Structural Information

Molecular Formula
C3H2F4O2
SMILES
C(C(C(=O)O)(F)F)(F)F
InChI
InChI=1S/C3H2F4O2/c4-1(5)3(6,7)2(8)9/h1H,(H,8,9)
InChIKey
PXRROZVNOOEPPZ-UHFFFAOYSA-N
Compound name
2,2,3,3-tetrafluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

13688
Patents

145.99908 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.00636 119.4
[M+Na]+ 168.98830 127.8
[M-H]- 144.99180 113.6
[M+NH4]+ 164.03290 139.7
[M+K]+ 184.96224 127.4
[M+H-H2O]+ 128.99634 112.5
[M+HCOO]- 190.99728 135.5
[M+CH3COO]- 205.01293 171.7
[M+Na-2H]- 166.97375 123.4
[M]+ 145.99853 112.9
[M]- 145.99963 112.9
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.