CID 50989163

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

Structural Information

Molecular Formula
C10H13FO2
SMILES
COC(CC1=CC=CC=C1F)OC
InChI
InChI=1S/C10H13FO2/c1-12-10(13-2)7-8-5-3-4-6-9(8)11/h3-6,10H,7H2,1-2H3
InChIKey
KOAFAIKWRXPLJC-UHFFFAOYSA-N
Compound name
1-(2,2-dimethoxyethyl)-2-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]+ 185.097226 137.5
[M+Na]+ 207.079168 145.1
[M-H]- 183.082674 139.9
[M+NH4]+ 202.123773 157.5
[M+K]+ 223.053108 144.1
[M+H-H2O]+ 167.087210 130.7
[M+HCOO]- 229.088151 160.1
[M+CH3COO]- 243.103801 183.1
[M+Na-2H]- 205.064616 142.6
[M]+ 184.08940142 139.2
[M]- 184.09049858 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.