CID 9987

4-fluoroanisole

Structural Information

Molecular Formula
C7H7FO
SMILES
COC1=CC=C(C=C1)F
InChI
InChI=1S/C7H7FO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKey
VIPWUFMFHBIKQI-UHFFFAOYSA-N
Compound name
1-fluoro-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

5775
Patents

126.048096 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.05537 119.4
[M+Na]+ 149.03731 128.7
[M-H]- 125.04082 122.4
[M+NH4]+ 144.08192 142.0
[M+K]+ 165.01125 127.6
[M+H-H2O]+ 109.04536 113.6
[M+HCOO]- 171.04630 144.0
[M+CH3COO]- 185.06195 171.2
[M+Na-2H]- 147.02276 127.7
[M]+ 126.04755 119.4
[M]- 126.04864 119.4
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

No patent data available for this compound.