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

literature stripe

Patent stripe

patents stripe