CID 67576

2-fluoroanisole

Structural Information

Molecular Formula
C7H7FO
SMILES
COC1=CC=CC=C1F
InChI
InChI=1S/C7H7FO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKey
JIXDOBAQOWOUPA-UHFFFAOYSA-N
Compound name
1-fluoro-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9156
Patents

126.048096 Da
Monoisotopic Mass

2.1
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

literature stripe

Patent stripe

patents stripe