CID 568250

3,4-difluoroanisole

Structural Information

Molecular Formula
C7H6F2O
SMILES
COC1=CC(=C(C=C1)F)F
InChI
InChI=1S/C7H6F2O/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChIKey
DSEVNUCNUTYYHW-UHFFFAOYSA-N
Compound name
1,2-difluoro-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

570
Patents

144.03867 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04595 127.5
[M+Na]+ 167.02789 139.9
[M+NH4]+ 162.07249 135.6
[M+K]+ 183.00183 133.3
[M-H]- 143.03139 127.4
[M+Na-2H]- 165.01334 134.1
[M]+ 144.03812 129.1
[M]- 144.03922 129.1
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