CID 2724518

3,5-difluoroanisole

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2365
Patents

144.03867 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.045946 121.6
[M+Na]+ 167.027888 131.8
[M-H]- 143.031394 123.5
[M+NH4]+ 162.072493 143.6
[M+K]+ 183.001828 130.2
[M+H-H2O]+ 127.035930 114.9
[M+HCOO]- 189.036871 145.0
[M+CH3COO]- 203.052521 175.1
[M+Na-2H]- 165.013336 128.5
[M]+ 144.03812142 120.7
[M]- 144.03921858 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