CID 23539866

1-(difluoromethoxy)-4-fluorobenzene

Structural Information

Molecular Formula
C7H5F3O
SMILES
C1=CC(=CC=C1OC(F)F)F
InChI
InChI=1S/C7H5F3O/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4,7H
InChIKey
YCHCTKYETOOKMH-UHFFFAOYSA-N
Compound name
1-(difluoromethoxy)-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

206
Patents

162.02925 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.036526 125.4
[M+Na]+ 185.018468 134.5
[M-H]- 161.021974 125.5
[M+NH4]+ 180.063073 146.2
[M+K]+ 200.992408 132.8
[M+H-H2O]+ 145.026510 117.5
[M+HCOO]- 207.027451 146.7
[M+CH3COO]- 221.043101 177.6
[M+Na-2H]- 183.003916 131.1
[M]+ 162.02870142 122.3
[M]- 162.02979858 122.3
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