CID 24709525

4-fluoro-3-[(2-methoxyethoxy)methyl]benzonitrile

Structural Information

Molecular Formula
C11H12FNO2
SMILES
COCCOCC1=C(C=CC(=C1)C#N)F
InChI
InChI=1S/C11H12FNO2/c1-14-4-5-15-8-10-6-9(7-13)2-3-11(10)12/h2-3,6H,4-5,8H2,1H3
InChIKey
YBVZKUUYWNLNJF-UHFFFAOYSA-N
Compound name
4-fluoro-3-(2-methoxyethoxymethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

209.0852 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.092476 140.0
[M+Na]+ 232.074418 150.4
[M-H]- 208.077924 142.2
[M+NH4]+ 227.119023 157.4
[M+K]+ 248.048358 147.7
[M+H-H2O]+ 192.082460 126.9
[M+HCOO]- 254.083401 159.9
[M+CH3COO]- 268.099051 199.2
[M+Na-2H]- 230.059866 145.2
[M]+ 209.08465142 137.8
[M]- 209.08574858 137.8
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