CID 20093056

1-(3,4-difluorophenyl)-2-methoxyethan-1-one

Structural Information

Molecular Formula
C9H8F2O2
SMILES
COCC(=O)C1=CC(=C(C=C1)F)F
InChI
InChI=1S/C9H8F2O2/c1-13-5-9(12)6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3
InChIKey
UPBQDEVAONCZME-UHFFFAOYSA-N
Compound name
1-(3,4-difluorophenyl)-2-methoxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 133.2
[M+Na]+ 209.038458 142.6
[M-H]- 185.041964 134.8
[M+NH4]+ 204.083063 153.3
[M+K]+ 225.012398 140.8
[M+H-H2O]+ 169.046500 126.0
[M+HCOO]- 231.047441 155.3
[M+CH3COO]- 245.063091 183.1
[M+Na-2H]- 207.023906 137.7
[M]+ 186.04869142 133.1
[M]- 186.04978858 133.1
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