CID 2368763

1-[4-(difluoromethoxy)phenyl]propan-1-one

Structural Information

Molecular Formula
C10H10F2O2
SMILES
CCC(=O)C1=CC=C(C=C1)OC(F)F
InChI
InChI=1S/C10H10F2O2/c1-2-9(13)7-3-5-8(6-4-7)14-10(11)12/h3-6,10H,2H2,1H3
InChIKey
NKRQQCHFLGGBJT-UHFFFAOYSA-N
Compound name
1-[4-(difluoromethoxy)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

23
Patents

200.06488 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.07216 138.9
[M+Na]+ 223.05410 146.7
[M-H]- 199.05760 140.0
[M+NH4]+ 218.09870 158.0
[M+K]+ 239.02804 145.0
[M+H-H2O]+ 183.06214 131.3
[M+HCOO]- 245.06308 159.7
[M+CH3COO]- 259.07873 185.8
[M+Na-2H]- 221.03955 142.3
[M]+ 200.06433 138.2
[M]- 200.06543 138.2
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

patents stripe