CID 28945847

(4-ethoxy-3-fluorophenyl)methanol

Structural Information

Molecular Formula
C9H11FO2
SMILES
CCOC1=C(C=C(C=C1)CO)F
InChI
InChI=1S/C9H11FO2/c1-2-12-9-4-3-7(6-11)5-8(9)10/h3-5,11H,2,6H2,1H3
InChIKey
NUFQHDWXIUIIFK-UHFFFAOYSA-N
Compound name
(4-ethoxy-3-fluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

170.07431 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.08159 132.4
[M+Na]+ 193.06353 141.3
[M-H]- 169.06703 133.9
[M+NH4]+ 188.10813 152.7
[M+K]+ 209.03747 139.1
[M+H-H2O]+ 153.07157 126.3
[M+HCOO]- 215.07251 154.9
[M+CH3COO]- 229.08816 177.7
[M+Na-2H]- 191.04898 138.2
[M]+ 170.07376 133.0
[M]- 170.07486 133.0
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