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

0
Patents

184.06998 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07726 140.8
[M+Na]+ 207.05920 151.5
[M+NH4]+ 202.10380 147.8
[M+K]+ 223.03314 145.5
[M-H]- 183.06270 139.8
[M+Na-2H]- 205.04465 145.9
[M]+ 184.06943 141.8
[M]- 184.07053 141.8
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.