CID 80389149

3-(2,4-difluorophenyl)-1,1-difluoropropan-2-one

Structural Information

Molecular Formula
C9H6F4O
SMILES
C1=CC(=C(C=C1F)F)CC(=O)C(F)F
InChI
InChI=1S/C9H6F4O/c10-6-2-1-5(7(11)4-6)3-8(14)9(12)13/h1-2,4,9H,3H2
InChIKey
XEPMGPNPVAYYSS-UHFFFAOYSA-N
Compound name
3-(2,4-difluorophenyl)-1,1-difluoropropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.03548 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.04276 135.8
[M+Na]+ 229.02470 145.0
[M-H]- 205.02820 134.6
[M+NH4]+ 224.06930 154.8
[M+K]+ 244.99864 142.2
[M+H-H2O]+ 189.03274 126.9
[M+HCOO]- 251.03368 154.4
[M+CH3COO]- 265.04933 187.6
[M+Na-2H]- 227.01015 137.8
[M]+ 206.03493 131.1
[M]- 206.03603 131.1
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.