CID 21866018

1-(2,2-diethoxyethyl)-3-fluorobenzene

Structural Information

Molecular Formula
C12H17FO2
SMILES
CCOC(CC1=CC(=CC=C1)F)OCC
InChI
InChI=1S/C12H17FO2/c1-3-14-12(15-4-2)9-10-6-5-7-11(13)8-10/h5-8,12H,3-4,9H2,1-2H3
InChIKey
ZUQALQRCLQLGOY-UHFFFAOYSA-N
Compound name
1-(2,2-diethoxyethyl)-3-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

212.12126 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12854 147.0
[M+Na]+ 235.11048 153.8
[M-H]- 211.11398 149.0
[M+NH4]+ 230.15508 165.9
[M+K]+ 251.08442 152.2
[M+H-H2O]+ 195.11852 139.8
[M+HCOO]- 257.11946 169.0
[M+CH3COO]- 271.13511 189.1
[M+Na-2H]- 233.09593 151.0
[M]+ 212.12071 149.5
[M]- 212.12181 149.5
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