CID 45933640

4-ethyl-5-fluoro-2-methoxyphenol

Structural Information

Molecular Formula
C9H11FO2
SMILES
CCC1=CC(=C(C=C1F)O)OC
InChI
InChI=1S/C9H11FO2/c1-3-6-4-9(12-2)8(11)5-7(6)10/h4-5,11H,3H2,1-2H3
InChIKey
KJKDEXSEEDJRNQ-UHFFFAOYSA-N
Compound name
4-ethyl-5-fluoro-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

170.07431 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.08159 131.7
[M+Na]+ 193.06353 141.5
[M-H]- 169.06703 133.6
[M+NH4]+ 188.10813 152.3
[M+K]+ 209.03747 139.5
[M+H-H2O]+ 153.07157 125.9
[M+HCOO]- 215.07251 154.2
[M+CH3COO]- 229.08816 178.9
[M+Na-2H]- 191.04898 136.9
[M]+ 170.07376 132.7
[M]- 170.07486 132.7
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

patents stripe