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]+ 161.04086 127.2
[M+Na]+ 183.02280 136.2
[M-H]- 159.02630 129.4
[M+NH4]+ 178.06740 148.5
[M+K]+ 198.99674 136.4
[M+H-H2O]+ 143.03084 120.8
[M+HCOO]- 205.03178 148.8
[M+CH3COO]- 219.04743 176.8
[M+Na-2H]- 181.00825 130.9
[M]+ 160.03303 126.6
[M]- 160.03413 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.