CID 56828113

2-(4-fluorophenyl)-2-methoxyacetonitrile

Structural Information

Molecular Formula
C9H8FNO
SMILES
COC(C#N)C1=CC=C(C=C1)F
InChI
InChI=1S/C9H8FNO/c1-12-9(6-11)7-2-4-8(10)5-3-7/h2-5,9H,1H3
InChIKey
AXZDZULCUNJNHT-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-2-methoxyacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.05899 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.066266 131.4
[M+Na]+ 188.048208 141.6
[M-H]- 164.051714 133.7
[M+NH4]+ 183.092813 150.1
[M+K]+ 204.022148 139.1
[M+H-H2O]+ 148.056250 118.7
[M+HCOO]- 210.057191 150.8
[M+CH3COO]- 224.072841 191.7
[M+Na-2H]- 186.033656 136.9
[M]+ 165.05844142 126.3
[M]- 165.05953858 126.3
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.