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

13499
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

literature stripe

Patent stripe

patents stripe