CID 55265172

Ethyl 2-cyano-5-fluorobenzoate

Structural Information

Molecular Formula
C10H8FNO2
SMILES
CCOC(=O)C1=C(C=CC(=C1)F)C#N
InChI
InChI=1S/C10H8FNO2/c1-2-14-10(13)9-5-8(11)4-3-7(9)6-12/h3-5H,2H2,1H3
InChIKey
QMZSRWKQXUGYBE-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-5-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

193.05391 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.06119 140.9
[M+Na]+ 216.04313 152.6
[M+NH4]+ 211.08773 144.8
[M+K]+ 232.01707 143.5
[M-H]- 192.04663 133.7
[M+Na-2H]- 214.02858 144.0
[M]+ 193.05336 139.6
[M]- 193.05446 139.6
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