CID 55274318

1-(2,6-difluoro-3-methylphenyl)propan-2-one

Structural Information

Molecular Formula
C10H10F2O
SMILES
CC1=C(C(=C(C=C1)F)CC(=O)C)F
InChI
InChI=1S/C10H10F2O/c1-6-3-4-9(11)8(10(6)12)5-7(2)13/h3-4H,5H2,1-2H3
InChIKey
NMLYUWZDQOPADA-UHFFFAOYSA-N
Compound name
1-(2,6-difluoro-3-methylphenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.06998 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.077256 133.6
[M+Na]+ 207.059198 143.6
[M-H]- 183.062704 135.5
[M+NH4]+ 202.103803 154.2
[M+K]+ 223.033138 141.0
[M+H-H2O]+ 167.067240 126.8
[M+HCOO]- 229.068181 155.2
[M+CH3COO]- 243.083831 185.3
[M+Na-2H]- 205.044646 137.0
[M]+ 184.06943142 132.8
[M]- 184.07052858 132.8
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

No patent data available for this compound.