CID 2774571

3-fluoro-4-methylanisole

Structural Information

Molecular Formula
C8H9FO
SMILES
CC1=C(C=C(C=C1)OC)F
InChI
InChI=1S/C8H9FO/c1-6-3-4-7(10-2)5-8(6)9/h3-5H,1-2H3
InChIKey
WQOHEWKWIJOAHQ-UHFFFAOYSA-N
Compound name
2-fluoro-4-methoxy-1-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

621
Patents

140.06374 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.071016 123.4
[M+Na]+ 163.052958 133.3
[M-H]- 139.056464 126.6
[M+NH4]+ 158.097563 145.8
[M+K]+ 179.026898 131.9
[M+H-H2O]+ 123.061000 117.7
[M+HCOO]- 185.061941 147.6
[M+CH3COO]- 199.077591 175.3
[M+Na-2H]- 161.038406 130.5
[M]+ 140.06319142 124.1
[M]- 140.06428858 124.1
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