CID 2782609

2,3,3,3-tetrafluoropropanoic acid

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

937
Patents

145.99908 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.006356 119.5
[M+Na]+ 168.988298 128.0
[M-H]- 144.991804 113.8
[M+NH4]+ 164.032903 140.0
[M+K]+ 184.962238 127.6
[M+H-H2O]+ 128.996340 112.7
[M+HCOO]- 190.997281 135.7
[M+CH3COO]- 205.012931 171.0
[M+Na-2H]- 166.973746 123.6
[M]+ 145.99853142 113.0
[M]- 145.99962858 113.0
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

patents stripe