CID 23391214

2fbzofcp

Structural Information

Molecular Formula
C16H11F2NO2
SMILES
CCC1=CC(=C(C=C1)C(=O)OC2=CC(=C(C=C2)C#N)F)F
InChI
InChI=1S/C16H11F2NO2/c1-2-10-3-6-13(15(18)7-10)16(20)21-12-5-4-11(9-19)14(17)8-12/h3-8H,2H2,1H3
InChIKey
AOSFJRIHXVOMHN-UHFFFAOYSA-N
Compound name
(4-cyano-3-fluorophenyl) 4-ethyl-2-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

287.07578 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08306 162.3
[M+Na]+ 310.06500 173.8
[M-H]- 286.06850 165.9
[M+NH4]+ 305.10960 176.5
[M+K]+ 326.03894 168.1
[M+H-H2O]+ 270.07304 147.1
[M+HCOO]- 332.07398 180.1
[M+CH3COO]- 346.08963 212.6
[M+Na-2H]- 308.05045 163.7
[M]+ 287.07523 157.5
[M]- 287.07633 157.5
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

patents stripe