CID 63629803

1-(3,3-diethoxypropoxy)-3-fluorobenzene

Structural Information

Molecular Formula
C13H19FO3
SMILES
CCOC(CCOC1=CC(=CC=C1)F)OCC
InChI
InChI=1S/C13H19FO3/c1-3-15-13(16-4-2)8-9-17-12-7-5-6-11(14)10-12/h5-7,10,13H,3-4,8-9H2,1-2H3
InChIKey
LHBHAEKTUKQRIQ-UHFFFAOYSA-N
Compound name
1-(3,3-diethoxypropoxy)-3-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.13182 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13910 154.8
[M+Na]+ 265.12104 161.1
[M-H]- 241.12454 156.6
[M+NH4]+ 260.16564 172.4
[M+K]+ 281.09498 159.8
[M+H-H2O]+ 225.12908 147.2
[M+HCOO]- 287.13002 176.7
[M+CH3COO]- 301.14567 194.1
[M+Na-2H]- 263.10649 158.3
[M]+ 242.13127 159.1
[M]- 242.13237 159.1
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

No patent data available for this compound.