CID 367936

2-cyano-3-(4-fluorophenyl)prop-2-enoic acid

Structural Information

Molecular Formula
C10H6FNO2
SMILES
C1=CC(=CC=C1C=C(C#N)C(=O)O)F
InChI
InChI=1S/C10H6FNO2/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H,13,14)
InChIKey
OBZAFMILNGLRAL-UHFFFAOYSA-N
Compound name
2-cyano-3-(4-fluorophenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

79
Patents

191.03825 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.04553 142.2
[M+Na]+ 214.02747 152.8
[M+NH4]+ 209.07207 145.4
[M+K]+ 230.00141 144.3
[M-H]- 190.03097 134.1
[M+Na-2H]- 212.01292 144.4
[M]+ 191.03770 140.3
[M]- 191.03880 140.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe