CID 522824

2',6'-difluoropropiophenone

Structural Information

Molecular Formula
C9H8F2O
SMILES
CCC(=O)C1=C(C=CC=C1F)F
InChI
InChI=1S/C9H8F2O/c1-2-8(12)9-6(10)4-3-5-7(9)11/h3-5H,2H2,1H3
InChIKey
ISFKUAKHXQLAFN-UHFFFAOYSA-N
Compound name
1-(2,6-difluorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

170.05432 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06160 129.8
[M+Na]+ 193.04354 139.2
[M-H]- 169.04704 131.4
[M+NH4]+ 188.08814 150.6
[M+K]+ 209.01748 136.9
[M+H-H2O]+ 153.05158 122.9
[M+HCOO]- 215.05252 151.7
[M+CH3COO]- 229.06817 181.1
[M+Na-2H]- 191.02899 134.3
[M]+ 170.05377 128.3
[M]- 170.05487 128.3
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