CID 2774205

4,4-difluoro-1-phenylbutane-1,3-dione

Structural Information

Molecular Formula
C10H8F2O2
SMILES
C1=CC=C(C=C1)C(=O)CC(=O)C(F)F
InChI
InChI=1S/C10H8F2O2/c11-10(12)9(14)6-8(13)7-4-2-1-3-5-7/h1-5,10H,6H2
InChIKey
JTIPWONXTZMDOK-UHFFFAOYSA-N
Compound name
4,4-difluoro-1-phenylbutane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

198.04924 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05652 138.3
[M+Na]+ 221.03846 145.1
[M-H]- 197.04196 139.1
[M+NH4]+ 216.08306 157.0
[M+K]+ 237.01240 143.3
[M+H-H2O]+ 181.04650 130.6
[M+HCOO]- 243.04744 158.2
[M+CH3COO]- 257.06309 184.7
[M+Na-2H]- 219.02391 141.1
[M]+ 198.04869 135.8
[M]- 198.04979 135.8
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