CID 136293

2,4-difluoroanisole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4360
Patents

144.03867 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04595 121.6
[M+Na]+ 167.02789 131.8
[M-H]- 143.03139 123.5
[M+NH4]+ 162.07249 143.6
[M+K]+ 183.00183 130.2
[M+H-H2O]+ 127.03593 114.9
[M+HCOO]- 189.03687 145.0
[M+CH3COO]- 203.05252 175.1
[M+Na-2H]- 165.01334 128.5
[M]+ 144.03812 120.7
[M]- 144.03922 120.7
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