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

66
Patents

191.03825 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.045526 140.8
[M+Na]+ 214.027468 150.4
[M-H]- 190.030974 141.8
[M+NH4]+ 209.072073 157.6
[M+K]+ 230.001408 146.7
[M+H-H2O]+ 174.035510 128.0
[M+HCOO]- 236.036451 158.1
[M+CH3COO]- 250.052101 192.4
[M+Na-2H]- 212.012916 143.8
[M]+ 191.03770142 133.6
[M]- 191.03879858 133.6
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

No patent data available for this compound.