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

17
Patents

170.07431 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.081586 131.7
[M+Na]+ 193.063528 141.5
[M-H]- 169.067034 133.6
[M+NH4]+ 188.108133 152.3
[M+K]+ 209.037468 139.5
[M+H-H2O]+ 153.071570 125.9
[M+HCOO]- 215.072511 154.2
[M+CH3COO]- 229.088161 178.9
[M+Na-2H]- 191.048976 136.9
[M]+ 170.07376142 132.7
[M]- 170.07485858 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