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

18
Patents

209.0852 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09248 140.0
[M+Na]+ 232.07442 150.4
[M-H]- 208.07792 142.2
[M+NH4]+ 227.11902 157.4
[M+K]+ 248.04836 147.7
[M+H-H2O]+ 192.08246 126.9
[M+HCOO]- 254.08340 159.9
[M+CH3COO]- 268.09905 199.2
[M+Na-2H]- 230.05987 145.2
[M]+ 209.08465 137.8
[M]- 209.08575 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