CID 519479

178374-78-2

Structural Information

Molecular Formula
C9H8F2O2
SMILES
CCC(=O)C1=CC(=C(C(=C1)F)O)F
InChI
InChI=1S/C9H8F2O2/c1-2-8(12)5-3-6(10)9(13)7(11)4-5/h3-4,13H,2H2,1H3
InChIKey
PJIDRPUAOWTRGM-UHFFFAOYSA-N
Compound name
1-(3,5-difluoro-4-hydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

186.04924 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.056516 133.1
[M+Na]+ 209.038458 143.0
[M-H]- 185.041964 133.7
[M+NH4]+ 204.083063 152.8
[M+K]+ 225.012398 140.3
[M+H-H2O]+ 169.046500 126.4
[M+HCOO]- 231.047441 153.7
[M+CH3COO]- 245.063091 181.6
[M+Na-2H]- 207.023906 136.4
[M]+ 186.04869142 131.5
[M]- 186.04978858 131.5
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