CID 67758

1,1,3,3-tetrafluoroacetone

Structural Information

Molecular Formula
C3H2F4O
SMILES
C(C(=O)C(F)F)(F)F
InChI
InChI=1S/C3H2F4O/c4-2(5)1(8)3(6)7/h2-3H
InChIKey
QAPXLUZMMFIIBI-UHFFFAOYSA-N
Compound name
1,1,3,3-tetrafluoropropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

552
Patents

130.00418 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.01146 116.5
[M+Na]+ 152.99340 124.7
[M-H]- 128.99690 112.0
[M+NH4]+ 148.03800 138.1
[M+K]+ 168.96734 124.8
[M+H-H2O]+ 113.00144 109.0
[M+HCOO]- 175.00238 134.5
[M+CH3COO]- 189.01803 173.1
[M+Na-2H]- 150.97885 119.2
[M]+ 130.00363 110.5
[M]- 130.00473 110.5
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.