CID 44206190

911193-25-4

Structural Information

Molecular Formula
C7H6F2O2
SMILES
CC1=CC=C(O1)C(=O)C(F)F
InChI
InChI=1S/C7H6F2O2/c1-4-2-3-5(11-4)6(10)7(8)9/h2-3,7H,1H3
InChIKey
SQWIHVLPFFJZGA-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-(5-methylfuran-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.03358 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.040856 127.2
[M+Na]+ 183.022798 136.2
[M-H]- 159.026304 129.4
[M+NH4]+ 178.067403 148.5
[M+K]+ 198.996738 136.4
[M+H-H2O]+ 143.030840 120.8
[M+HCOO]- 205.031781 148.8
[M+CH3COO]- 219.047431 176.8
[M+Na-2H]- 181.008246 130.9
[M]+ 160.03303142 126.6
[M]- 160.03412858 126.6
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.