CID 120137

2',5'-difluoropropiophenone

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

77
Patents

170.05432 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.061596 129.8
[M+Na]+ 193.043538 139.2
[M-H]- 169.047044 131.4
[M+NH4]+ 188.088143 150.6
[M+K]+ 209.017478 136.9
[M+H-H2O]+ 153.051580 122.9
[M+HCOO]- 215.052521 151.7
[M+CH3COO]- 229.068171 181.1
[M+Na-2H]- 191.028986 134.3
[M]+ 170.05377142 128.3
[M]- 170.05486858 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

No literature data available for this compound.

Patent stripe

patents stripe