CID 23325086

2-[(3-fluorophenyl)methoxy]ethan-1-ol

Structural Information

Molecular Formula
C9H11FO2
SMILES
C1=CC(=CC(=C1)F)COCCO
InChI
InChI=1S/C9H11FO2/c10-9-3-1-2-8(6-9)7-12-5-4-11/h1-3,6,11H,4-5,7H2
InChIKey
QNTPWFDJZDQATN-UHFFFAOYSA-N
Compound name
2-[(3-fluorophenyl)methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

170.07431 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.08159 133.0
[M+Na]+ 193.06353 140.9
[M-H]- 169.06703 134.0
[M+NH4]+ 188.10813 152.9
[M+K]+ 209.03747 138.7
[M+H-H2O]+ 153.07157 126.6
[M+HCOO]- 215.07251 155.5
[M+CH3COO]- 229.08816 176.5
[M+Na-2H]- 191.04898 139.4
[M]+ 170.07376 133.1
[M]- 170.07486 133.1
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