CID 50989164

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

Structural Information

Molecular Formula
C10H13FO2
SMILES
COC(CC1=CC(=CC=C1)F)OC
InChI
InChI=1S/C10H13FO2/c1-12-10(13-2)7-8-4-3-5-9(11)6-8/h3-6,10H,7H2,1-2H3
InChIKey
XOMPIQPODVNMEY-UHFFFAOYSA-N
Compound name
1-(2,2-dimethoxyethyl)-3-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.08995 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.09723 137.5
[M+Na]+ 207.07917 145.1
[M-H]- 183.08267 139.9
[M+NH4]+ 202.12377 157.5
[M+K]+ 223.05311 144.1
[M+H-H2O]+ 167.08721 130.7
[M+HCOO]- 229.08815 160.1
[M+CH3COO]- 243.10380 183.1
[M+Na-2H]- 205.06462 142.6
[M]+ 184.08940 139.2
[M]- 184.09050 139.2
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.