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

504
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

literature stripe

Patent stripe

patents stripe