CID 71758157

1,1-difluoro-4-phenylbutan-2-one

Structural Information

Molecular Formula
C10H10F2O
SMILES
C1=CC=C(C=C1)CCC(=O)C(F)F
InChI
InChI=1S/C10H10F2O/c11-10(12)9(13)7-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKey
BHMNKCWIONOLTE-UHFFFAOYSA-N
Compound name
1,1-difluoro-4-phenylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 136.5
[M+Na]+ 207.059198 143.3
[M-H]- 183.062704 137.2
[M+NH4]+ 202.103803 156.0
[M+K]+ 223.033138 141.1
[M+H-H2O]+ 167.067240 128.9
[M+HCOO]- 229.068181 157.0
[M+CH3COO]- 243.083831 182.7
[M+Na-2H]- 205.044646 140.5
[M]+ 184.06943142 133.9
[M]- 184.07052858 133.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.