CID 43657417

3-fluoro-4-(2-methoxyethoxy)benzonitrile

Structural Information

Molecular Formula
C10H10FNO2
SMILES
COCCOC1=C(C=C(C=C1)C#N)F
InChI
InChI=1S/C10H10FNO2/c1-13-4-5-14-10-3-2-8(7-12)6-9(10)11/h2-3,6H,4-5H2,1H3
InChIKey
CQPBGHVFFOEPSE-UHFFFAOYSA-N
Compound name
3-fluoro-4-(2-methoxyethoxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.06955 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07683 136.0
[M+Na]+ 218.05877 146.7
[M-H]- 194.06227 138.3
[M+NH4]+ 213.10337 153.8
[M+K]+ 234.03271 144.2
[M+H-H2O]+ 178.06681 123.0
[M+HCOO]- 240.06775 156.2
[M+CH3COO]- 254.08340 196.5
[M+Na-2H]- 216.04422 141.6
[M]+ 195.06900 133.5
[M]- 195.07010 133.5
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

No patent data available for this compound.