CID 118813274

1-[3-(difluoromethyl)phenyl]propan-1-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

184.06998 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.077256 135.5
[M+Na]+ 207.059198 143.3
[M-H]- 183.062704 136.7
[M+NH4]+ 202.103803 155.4
[M+K]+ 223.033138 141.2
[M+H-H2O]+ 167.067240 128.2
[M+HCOO]- 229.068181 156.1
[M+CH3COO]- 243.083831 183.8
[M+Na-2H]- 205.044646 138.9
[M]+ 184.06943142 133.3
[M]- 184.07052858 133.3
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