CID 81654121

2-ethoxy-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetonitrile

Structural Information

Molecular Formula
C11H9F4NO
SMILES
CCOC(C#N)C1=C(C=C(C=C1)F)C(F)(F)F
InChI
InChI=1S/C11H9F4NO/c1-2-17-10(6-16)8-4-3-7(12)5-9(8)11(13,14)15/h3-5,10H,2H2,1H3
InChIKey
IFNMVGVDNCMEHJ-UHFFFAOYSA-N
Compound name
2-ethoxy-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.06203 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.06931 145.5
[M+Na]+ 270.05125 155.7
[M-H]- 246.05475 144.0
[M+NH4]+ 265.09585 161.1
[M+K]+ 286.02519 152.5
[M+H-H2O]+ 230.05929 130.4
[M+HCOO]- 292.06023 159.9
[M+CH3COO]- 306.07588 205.4
[M+Na-2H]- 268.03670 148.2
[M]+ 247.06148 137.3
[M]- 247.06258 137.3
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.